SCHEMBL3210555

SCHEMBL3210555

CCCNCCC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.60
▸ THRB P10828 1/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ CES1 P23141 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ NR4A2 P43354 1/20 0.52

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
Hydrochloric Acid SCHEMBL28760001 0.98 THRA (0.59) THRATHRBL3MBTL1HPGDSMN1; SMN2
SCHEMBL9744775 0.90 TDP1 (0.62) L3MBTL1HPGDSMN1; SMN2CA12CA1
SCHEMBL4761104 0.89 THRA (0.57) THRATHRBL3MBTL1HPGDSMN1; SMN2
SCHEMBL27937324 0.87 MAPT (0.54) L3MBTL1HPGDSMN1; SMN2CA12CA1
Hydrochloric Acid SCHEMBL27337480 0.85 MAPT (0.52) L3MBTL1HPGDSMN1; SMN2CA12CA1
Hydrochloric Acid SCHEMBL11664928 0.85 THRA (0.61) THRATHRBL3MBTL1MAPTTDP1
SCHEMBL5023251 0.84 HPGD (0.50) THRATHRBL3MBTL1HPGDSMN1; SMN2
SCHEMBL11137757 0.83 HPGD (0.54) L3MBTL1HPGDSMN1; SMN2MAPTKMT2A
Benzoic Acid SCHEMBL4086034 0.82 TSHR (0.58) HPGDSMN1; SMN2CA12CA9MAPT
Butyrophenone SCHEMBL11798375 0.82 L3MBTL1 (0.59) L3MBTL1HPGDSMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111689929-B Sulfur fluoride (VI) compound and preparation method thereof 斯克里普斯研究所 2024-05-31 — — CN disclosed
CN-114401935-B Ion channel antagonists/blockers and uses thereof 上海市东方医院(同济大学附属东方医院) 2024-04-05 — — CN disclosed
EP-3816164-B1 ISOTHIAZOLO[5,4-D]PYRIMIDINE COMPOUND AS IRAK4 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2024-04-03 — — EP disclosed
US-20230331739-A1 INDOLO HEPTAMYL OXIME ANALOG CRYSTAL AS PARP INHIBITOR AND METHOD FOR PREPARING SAME CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-19 — — US disclosed
EP-4190790-A1 INDOLO HEPTAMYL OXIME ANALOG CRYSTAL AS PARP INHIBITOR AND METHOD FOR PREPARING SAME Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2023-06-07 — — EP disclosed
CN-113365998-B Indolo hepta-acyloxime analogs for PARP inhibitors 正大天晴药业集团股份有限公司 2023-04-14 — — CN disclosed
CN-115698019-A Crystal of indolo-hepta-acyloxime analogue used as PARP inhibitor and preparation method thereof 正大天晴药业集团股份有限公司 2023-02-03 — — CN disclosed
CN-111205286-B Nitrile methyl piperazine derivative as KRAS G12C mutant protein inhibitor and application thereof 中科苏州药物研究院 2022-12-13 — — CN disclosed
CN-109384778-B Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 赛克里翁治疗有限公司 2022-12-13 — — CN disclosed
CN-112442030-B Pyridinopyrimidine derivatives as KRASG12C mutant protein inhibitors 南京明德新药研发有限公司 2022-09-27 — — CN disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 — — US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 — — US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 — — US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 — — US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 — — US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 — — US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 — — WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 — — WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 — — WO disclosed
CN-1298867-A Process for preparing alpha-amidophenylketone with optical activity AIKE PHARMACEUTICAL SCIENCE AN (CN) 2001-06-13 — — CN 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 (1 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-20230331739-A1 INDOLO HEPTAMYL OXIME ANALOG CRYSTAL AS PARP INHIBITOR AND METHOD FOR PREPARING SAME PARP1, PARP2, PARP8 THRA 4068/4885THRB 3676/4885L3MBTL1 4070/4885

“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.

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