SCHEMBL167548

SCHEMBL167548

CNS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 1/20 0.58
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA3 P07451 2/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
CA5A P35218 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA13 Q8N1Q1 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 2/20 0.52
NR3C2 P08235 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.40

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
SCHEMBL6609080 0.87 SMN1; SMN2 (0.55) SMN1; SMN2GAACA12CA1CA2
SCHEMBL7629070 0.82 SMN1; SMN2 (0.80) SMN1; SMN2GAACA12CA1CA2
Water SCHEMBL27466609 0.78 NR3C2 (0.62) SMN1; SMN2GAACA12CA1CA2
SCHEMBL8390840 0.77 ALDH1A1 (0.35) SMN1; SMN2GAACA12CA1CA2
SCHEMBL1828000 0.76 CA1 (0.35) SMN1; SMN2GAACA12CA1CA2
SCHEMBL3111245 0.76 ALDH1A1 (0.55) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL1570351 0.76 NPSR1 (0.47) SMN1; SMN2GAACA12CA1CA2
SCHEMBL483344 0.76 ALDH1A1 (0.62) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL8908871 0.76 KDM4E (0.36) SMN1; SMN2GAACA12CA1CA2
SCHEMBL6291286 0.76 POLB (0.45) SMN1; SMN2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
CN-112694477-A Pyrazolo ring compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-04-23 CN claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP claimed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN claimed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
US-10106531-B2 Compound useful to treat mycoses PULMOCIDE LIMITED (GB) 2018-10-23 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
CN-108419435-A Compound and epigenetics for treating cancer 新加坡科技研究局 2018-08-17 CN claimed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP claimed
WO-2001032628-A1 CYANO COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-05-10 WO claimed
EP-1097153-A1 NOVEL TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-05-09 EP claimed
WO-2001005784-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-01-25 WO claimed
US-6174901-B1 FOR TREATMENT OF RHEUMATOID ARTHRITIS, PAGETS DISEASE, OSTEOPHOROSIS, MULTIPLE MYELOMA, UVEITITIS, ACUTE OR CHRONIC MYELOGENOUS LEUKEMIA, PANCREATIC .BETA. CELL DESTRUCTION, OSTEOARTHRITIS, RHEUMATOID SPONDYLITIS, GOUTY ARTHRITIS ETC. AMGEN INC. 2001-01-16 US claimed
EP-1042293-A1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE Amgen Inc. (US) 2000-10-11 EP claimed
WO-2000039108-A1 THROMBIN OR FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO claimed
WO-2000004021-A1 NOVEL TRIAZOLO[4,5-d]PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-27 WO claimed
WO-1999032448-A1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC. (US) 1999-07-01 WO claimed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP claimed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 WO claimed

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

For each of this compound's patents that has machine-readable text (3 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 SMN1; SMN2 1700/4885GAA 1438/4885CA12 3040/4885
US-10106531-B2 Compound useful to treat mycoses DPM1, ERG28, MYC SMN1; SMN2 3927/4885GAA 91/4885CA12 582/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 SMN1; SMN2 4688/4885GAA 490/4885CA12 742/4885

“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.