SCHEMBL746604

SCHEMBL746604

COC(=O)Cc1cncc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
HSP90AB1 P08238 1/20 0.49
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL17396793 0.98 CYP11B1 (0.50) CYP11B1CYP11B2HSP90AB1KDM4ESMN1; SMN2
SCHEMBL1922339 0.83 CYP1A2 (0.52) KDM4ESMN1; SMN2MAPTHTTCYP1A2
SCHEMBL751036 0.83 CYP11B1 (0.48) CYP11B1CYP11B2KDM4ESMN1; SMN2MAPT
SCHEMBL3669289 0.82 CYP11B1 (0.54) CYP11B1CYP11B2HSP90AB1KDM4ESMN1; SMN2
SCHEMBL1502754 0.81 CASP3 (0.42) KDM4ESMN1; SMN2MAPTHTTCYP1A2
SCHEMBL12028352 0.81 CYP11B1 (0.52) CYP11B1CYP11B2HSP90AB1KDM4ESMN1; SMN2
SCHEMBL12807583 0.81 HSP90AB1 (0.65) CYP11B1CYP11B2HSP90AB1KDM4ESMN1; SMN2
SCHEMBL10174453 0.81 CYP11B1 (0.56) CYP11B1CYP11B2HSP90AB1KDM4ESMN1; SMN2
SCHEMBL3372179 0.80 HTT (0.46) KDM4ESMN1; SMN2MAPTHTTCYP1A2
SCHEMBL8257613 0.80 HSP90AB1 (0.62) CYP11B1CYP11B2HSP90AB1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709712-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF Blueprint Medicines Corporation (US) 2026-03-18 EP disclosed
US-20250059185-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2025-02-20 US disclosed
US-20250042896-A1 POLYCYCLIC COMPOUND AS CBL-B INHIBITOR HAINAN SIMCERE ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2025-02-06 US disclosed
EP-3653618-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-01-08 EP disclosed
WO-2024233900-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-11-14 WO disclosed
US-20240360134-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2024-10-31 US disclosed
EP-4448522-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-10-23 EP disclosed
EP-3573974-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2024-09-18 EP disclosed
US-20240270743-A1 TETRAHYDROPYRAZOLOPYRIDINE-ANALOG LIGANDS OF NLRX1 AND USES THEREOF LANDOS BIOPHARMA, INC. (US) 2024-08-15 US disclosed
CN-118488953-A Bicyclic heterocyclic compounds useful as monoacylglycerol lipase inhibitors 豪夫迈·罗氏有限公司 2024-08-13 CN disclosed
CN-101094827-A Benzene compound having two or more substituents SANKYO CO (JP) 2007-12-26 CN disclosed
US-20070154900-A1 Methods for determining protein and peptide terminal sequences TARGET DISCOVERY, INC (US) 2007-07-05 US disclosed
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP disclosed
WO-2007024922-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2007-03-01 WO disclosed
WO-2007024922-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2007-03-01 WO disclosed
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators MERCK & CO., INC. (US) 2005-10-27 US disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO disclosed
US-4921867-A Pyridine compounds useful for therapy or prophylaxis of a disease associated with airway obstruction GLAXO GROUP LIMITED (GB) 1990-05-01 US disclosed
EP-0278728-A2 1-(4-Amino-3,5-dichlorophenyl)-2-(substituted amino)ethanol derivatives and their use in the treatment of respiratory disease GLAXO GROUP LIMITED (GB) 1988-08-17 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 (5 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-20240360134-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS PDGFRB, PDGFRA, ABL1 CYP11B1 2653/4885CYP11B2 2243/4885HSP90AB1 1147/4885
US-20240270743-A1 TETRAHYDROPYRAZOLOPYRIDINE-ANALOG LIGANDS OF NLRX1 AND USES THEREOF NLRP1, NLRP3, EPX CYP11B1 3467/4885CYP11B2 3609/4885HSP90AB1 1761/4885
US-20250059185-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, LIPC, PNLIP CYP11B1 1841/4885CYP11B2 1702/4885HSP90AB1 1802/4885
US-20250042896-A1 POLYCYCLIC COMPOUND AS CBL-B INHIBITOR CBLB, CBL, CBLC CYP11B1 1841/4885CYP11B2 2120/4885HSP90AB1 3712/4885
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators CNR1, CNR2, MAG CYP11B1 486/4885CYP11B2 622/4885HSP90AB1 2102/4885

“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.