SCHEMBL3533547

SCHEMBL3533547

CC(C)(C#N)c1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 3/20 0.31
CYP1A1 P04798 2/20 0.31
CYP1B1 Q16678 2/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD11B1 P28845 1/20 0.31
PYCR1 P32322 1/20 0.31
SGMS2 Q8NHU3 1/20 0.30

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
SCHEMBL30238802 1.00 CA1 (0.37) CA1CA2CA5ACA9ALDH1A1
SCHEMBL8763114 0.84 TSHR (0.39) CA2ALDH1A1HSP90AA1HSP90AB1TSHR
SCHEMBL16897504 0.82 ALDH1A1 (0.32) CA2ALDH1A1
SCHEMBL27521607 0.78 CA1 (0.41) CA1CA2CA5ACA9ALDH1A1
SCHEMBL13439652 0.77 TDP1 (0.44) CA2ALDH1A1HSP90AA1HSP90AB1TSHR
SCHEMBL548070 0.76 L3MBTL1 (0.34) CA1CA2CA5ACA9ALDH1A1
SCHEMBL3125324 0.76 TSHR (0.43) CA1CA2CA9ALDH1A1HSP90AA1
SCHEMBL9686923 0.75 CA2 (0.41) CA1CA2CA5ACA9ALDH1A1
SCHEMBL3161262 0.74 ALDH1A1 (0.58) CA1CA2CA5AALDH1A1HSP90AA1
SCHEMBL14849750 0.74 HSP90AA1 (0.34) ALDH1A1HSP90AA1HSP90AB1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4617265-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF Prime Gene Therapeutics Co., Ltd. (CN) 2025-09-17 EP disclosed
WO-2024099404-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2024-05-16 WO disclosed
CN-103987696-B Substituted tetrahydro isoquinoline compound as factor XI, plasma thromboplastin antecedent A inhibitor 百时美施贵宝公司 2016-12-21 CN disclosed
CN-104736533-B Vegfr3 inhibitor 癌症治疗合作研究中心有限公司 2016-12-07 CN disclosed
EP-2766347-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-04 EP disclosed
US-9238644-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-19 US disclosed
US-9238644-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-19 US disclosed
US-9238644-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-19 US disclosed
US-20160009686-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-14 US disclosed
US-20160009686-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-14 US disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 US disclosed
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed
US-6358974-B1 USED AS AS MODULATORS OF DOPAMINE D.SUB.3 RECEPTORS, IN THERAPY AS ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-19 US disclosed
EP-0701554-B1 NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF OXIS ISLE OF MAN LTD (GB) 2001-06-27 EP disclosed
US-6093532-A USING ADAPTED STORAGE MEDIUM WHICH SUPPLIES SELENIUM FOR GLUTATHIONE PEROXIDASE, A CRYOPROTECTIVE AND ANTIOXIDANT ENZYME OXIS ISLE OF MAN, LIMITED (US) 2000-07-25 US disclosed
US-5968920-A INCREASE GLUTATHIONE PEROXIDASE ACTIVITY FOR REDUCING LEVELS OF PEROXIDES IN CELLS OR TISSUES OXIS ISLE OF MAN, LIMITED (US) 1999-10-19 US disclosed
EP-0701554-A1 NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF OXIS INTERNATIONAL S.A. (FR) 1996-03-20 EP disclosed
WO-1995027706-A1 NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF OXIS INTERNATIONAL S.A. (FR) 1995-10-19 WO 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 (4 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-20160009686-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR CA1 4827/4885CA2 3803/4885CA5A 2511/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES CA1 4685/4885CA2 4308/4885CA5A 3807/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES CA1 4666/4885CA2 4447/4885CA5A 3439/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES CA1 4685/4885CA2 4308/4885CA5A 3807/4885

“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.