SCHEMBL432016

SCHEMBL432016

COc1cc(C(N)=O)ccc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
APOBEC3A P31941 1/20 0.62
HTT P42858 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
MAPK1 P28482 1/20 0.58
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALDH1A1 P00352 3/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
TPMT P51580 1/20 0.52
CA9 Q16790 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
SCHEMBL8156286 0.85 ALDH1A1 (0.73) TSHRAPOBEC3AHTTAPOBEC3GMAPK1
SCHEMBL28114733 0.85 ALDH1A1 (0.72) TSHRAPOBEC3AHTTAPOBEC3GMAPK1
SCHEMBL29415167 0.84 MAPK1 (0.77) TSHRAPOBEC3AHTTAPOBEC3GMAPK1
SCHEMBL335681 0.84 MAPK1 (0.77) TSHRAPOBEC3AHTTAPOBEC3GMAPK1
SCHEMBL25606750 0.84 ALDH1A1 (0.51) TSHRAPOBEC3AHTTAPOBEC3GMAPK1
SCHEMBL12982799 0.83 LMNA (0.55) TSHRAPOBEC3AHTTAPOBEC3GCYP1A2
SCHEMBL644265 0.83 CA12 (0.69) TSHRHTTMAPK1CYP1A2CYP2C19
SCHEMBL29688674 0.83 LMNA (0.55) TSHRAPOBEC3AHTTAPOBEC3GCYP1A2
Hydrochloric Acid SCHEMBL5154533 0.82 MAPK1 (0.74) TSHRAPOBEC3AHTTAPOBEC3GMAPK1
SCHEMBL426745 0.81 MAPT (0.62) TSHRHTTCYP1A2CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025081982-A1 PREPARATION METHOD FOR FINERENONE KEY INTERMEDIATE 山东诚创蓝海医药科技有限公司 2025-04-24 WO claimed
CN-119859112-A Preparation method of non-neridrone key intermediate 山东诚创蓝海医药科技有限公司 2025-04-22 CN claimed
US-10696611-B2 Adamantane derivative compound AMOREPACIFIC CORPORATION (KR) 2020-06-30 US claimed
US-20170283347-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND AMOREPACIFIC CORPORATION (KR) 2017-10-05 US claimed
EP-3187486-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND Amorepacific Corporation (KR) 2017-07-05 EP claimed
WO-2025081982-A1 PREPARATION METHOD FOR FINERENONE KEY INTERMEDIATE 山东诚创蓝海医药科技有限公司 2025-04-24 WO disclosed
WO-2025081982-A1 PREPARATION METHOD FOR FINERENONE KEY INTERMEDIATE 山东诚创蓝海医药科技有限公司 2025-04-24 WO disclosed
CN-119859112-A Preparation method of non-neridrone key intermediate 山东诚创蓝海医药科技有限公司 2025-04-22 CN disclosed
CN-119859112-A Preparation method of non-neridrone key intermediate 山东诚创蓝海医药科技有限公司 2025-04-22 CN disclosed
CN-117776973-A Preparation method of 4-formyl-3-methoxybenzonitrile 山东特珐曼药业有限公司 2024-03-29 CN disclosed
CN-117088884-A Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-21 CN disclosed
EP-3187486-B1 NOVEL ADAMANTANE DERIVATIVE COMPOUND AMOREPACIFIC CORP (KR) 2023-10-18 EP disclosed
EP-0702012-B1 Substituted isoxazole sulfonamides and their use as endothelin antagonists BRISTOL MYERS SQUIBB CO (US) 2003-10-15 EP disclosed
EP-0921800-A4 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2000-12-06 EP disclosed
EP-0921800-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-16 EP disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed
US-5827869-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 US disclosed
WO-1997029748-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-21 WO disclosed
US-5612359-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-18 US disclosed
EP-0702012-A1 Substituted isoxazole sulfonamides and their use as endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-20 EP 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 (2 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-10696611-B2 Adamantane derivative compound ADAM8, BACE1, CYP17A1 TSHR 4090/4885APOBEC3A 1030/4885HTT 1830/4885
US-20170283347-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND ADAM8, CYP17A1, ADAM10 TSHR 3845/4885APOBEC3A 1413/4885HTT 2081/4885

“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.