SCHEMBL999008

SCHEMBL999008

[C-]#[N+]c1ccc(C(=O)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA12 O43570 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 2/20 0.54
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
STS P08842 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13019487 0.94 CA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL28993944 0.82 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL23600 0.82 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL11743710 0.79 ACR (0.49) CA1CA2MAPTALDH1A1MEN1
SCHEMBL28704033 0.79 CA1 (0.76) CA1CA2CA12CA7CA9
Ammonia Solution, Strong SCHEMBL28873355 0.79 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL28531063 0.79 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL28993277 0.79 CA1 (0.76) CA1CA2CA12CA7CA9
Water SCHEMBL22720573 0.79 CA1 (0.76) CA1CA2CA12CA7CA9
Methyl Alcohol SCHEMBL28561085 0.79 CA1 (0.76) CA1CA2CA12CA7CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250011330-A1 Imidazo[1,2- a]pyrazine and Imidazo[1,2- a]pyridine Based Tyrosyl-DNA Phosphodiesterase I (TDP1) Inhibitors LEIDOS BIOMEDICAL RESEARCH INC. 2025-01-09 US disclosed
EP-4284798-A1 IMIDAZO[1,2-A]PYRAZINE AND IMIDAZO[1,2-A]PYRIDINE BASED TYROSYL-DNA PHOSPHODIESTERASE I (TDP1) INHIBITORS The USA, as represented by The Secretary, Department of Health and Human Services (US) 2023-12-06 EP disclosed
EP-3562810-B1 BENZHYDROXAMIC ACID DERIVATIVES AS SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-05-03 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022164934-A1 IMIDAZO[1,2-A]PYRAZINE AND IMIDAZO[1,2-A]PYRIDINE BASED TYROSYL-DNA PHOSPHODIESTERASE I (TDP1) INHIBITORS THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2022-08-04 WO disclosed
US-11351178-B2 Selective HDAC6 inhibitors ITALFARMACO SPA (IT) 2022-06-07 US disclosed
US-20210128577-A1 Selective HDAC6 Inhibitors ITALFARMACO S.P.A. (IT) 2021-05-06 US disclosed
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-02 US disclosed
EP-3562810-A1 SELECTIVE HDAC6 INHIBITORS Italfarmaco SpA (IT) 2019-11-06 EP disclosed
EP-2978751-B1 TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-12-05 EP disclosed
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 US disclosed
WO-2011006143-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-01-13 WO disclosed
US-7816540-B2 Carboxyl- or hydroxyl-substituted benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-10-19 US disclosed
US-20100204487-A1 PROCESS FOR MAKING THIOPHENE CARBOXAMIDE DERIVATIVES DAVIES IAN 2010-08-12 US disclosed
US-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 US disclosed
WO-2010002954-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 WO disclosed
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 US disclosed
US-20090163552-A1 CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-06-25 US disclosed
US-20090023918-A1 PROCESS FOR PREPARING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE SEKI MASAHIKO 2009-01-22 US disclosed
US-7439368-B2 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204487-A1 PROCESS FOR MAKING THIOPHENE CARBOXAMIDE DERIVATIVES PTGER4, P2RY4, PTGES2 CA1 3046/4885CA2 1586/4885CA12 3658/4885
US-20210128577-A1 Selective HDAC6 Inhibitors HDAC6, HDAC1, HDAC3 CA1 908/4885CA2 1698/4885CA12 1408/4885
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES SQLE, SGMS2, FDPS CA1 3546/4885CA2 1439/4885CA12 1639/4885
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors TFPI, F12, F11 CA1 1725/4885CA2 1537/4885CA12 2826/4885
US-20250011330-A1 Imidazo[1,2- a]pyrazine and Imidazo[1,2- a]pyridine Based Tyrosyl-DNA Phosphodiesterase I (TDP1) Inhibitors TDP1, TDP2, TOP1 CA1 4281/4885CA2 3277/4885CA12 4802/4885
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS PTGER4, PTGER1, PTGER2 CA1 4007/4885CA2 1544/4885CA12 3464/4885
US-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, MAPKAP1 CA1 4760/4885CA2 1747/4885CA12 4870/4885
US-11351178-B2 Selective HDAC6 inhibitors HDAC6, HDAC1, HDAC3 CA1 988/4885CA2 1673/4885CA12 1400/4885
US-20090023918-A1 PROCESS FOR PREPARING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE F12, F3, F11 CA1 808/4885CA2 486/4885CA12 701/4885
US-20090163552-A1 CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NR1H4, GPBAR1, SLC10A1 CA1 2644/4885CA2 715/4885CA12 3001/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.