SCHEMBL4896547

SCHEMBL4896547

N#Cc1ccc(C(N)=O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.51
FLT1 P17948 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
KMT2A Q03164 2/20 0.49
AVPR2 P30518 1/20 0.44
GPR27 Q9NS67 1/20 0.44
GABRA1 P14867 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRB2 P47870 2/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
VCAM1 P19320 1/20 0.42
ADRA1D P25100 4/20 0.42
ATM Q13315 1/20 0.42
PDK1 Q15118 1/20 0.41

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 SCHEMBL5900879 0.98 CASP1 (0.50) CASP1FLT1FLT4KDRKMT2A
SCHEMBL3211886 0.85 CASP1 (0.55) CASP1FLT1FLT4KDRKMT2A
SCHEMBL30818930 0.85 CASP1 (0.55) CASP1FLT1FLT4KDRKMT2A
SCHEMBL508503 0.83 TSHR (0.57) CASP1FLT1FLT4KDRAVPR2
SCHEMBL6628485 0.83 FLT1 (0.52) CASP1FLT1FLT4KDRAVPR2
SCHEMBL3379668 0.81 KMT2A (0.49) CASP1KMT2AGABRA1GABRG2GABRB3
SCHEMBL27232968 0.81 FLT1 (0.44) CASP1FLT1FLT4KDRAVPR2
SCHEMBL3362814 0.81 FLT1 (0.51) FLT1FLT4KDRAVPR2GPR27
SCHEMBL5045602 0.79 XDH (0.49) CASP1MKNK1MKNK2PARP15PARP10
SCHEMBL24022839 0.78 CASP1 (0.44) CASP1KDRPARP15PARP10PARP2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795177-B BACE1 inhibitors 豪夫迈·罗氏有限公司 2019-04-23 CN claimed
CN-107683283-A Bace1 inhibitor 豪夫迈·罗氏有限公司 2018-02-09 CN claimed
CN-106795177-A BACE1 inhibitors 豪夫迈·罗氏有限公司 2017-05-31 CN claimed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP claimed
US-20080255240-A1 Sulfonamide Derivatives NOVO NORDISK A/S (DK) 2008-10-16 US claimed
EP-1756025-A1 SULFONAMIDE DERIVATIVES NOVO NORDISK A/S (DK) 2007-02-28 EP claimed
WO-2005105712-A1 SULFONAMIDE DERIVATIVES NOVO NORDISK A/S (DK) 2005-11-10 WO claimed
CN-106795177-B BACE1 inhibitors 豪夫迈·罗氏有限公司 2019-04-23 CN disclosed
CN-107683283-A Bace1 inhibitor 豪夫迈·罗氏有限公司 2018-02-09 CN disclosed
CN-106795177-A BACE1 inhibitors 豪夫迈·罗氏有限公司 2017-05-31 CN disclosed
US-20080255240-A1 Sulfonamide Derivatives NOVO NORDISK A/S (DK) 2008-10-16 US disclosed
EP-1756025-A1 SULFONAMIDE DERIVATIVES NOVO NORDISK A/S (DK) 2007-02-28 EP disclosed
US-20060111553-A1 Novel thrombin inhibitors, the preparation and use thereof ABBOTT GMBH & CO. KG (DE) 2006-05-25 US disclosed
WO-2005105712-A1 SULFONAMIDE DERIVATIVES NOVO NORDISK A/S (DK) 2005-11-10 WO disclosed
US-20030004308-A1 Novel thrombin inhibitors, the preparation and use thereof BOHM HANS-JOACHIM (DE) 2003-01-02 US disclosed
US-6455671-B1 COMPOUND FOR USE IN THE TREATMENT OF THROMBOSIS ABBOTT LABORATORIES 2002-09-24 US 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 (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-20060111553-A1 Novel thrombin inhibitors, the preparation and use thereof TFPI, F2, TFPI2 CASP1 473/4885FLT1 226/4885FLT4 493/4885
US-20030004308-A1 Novel thrombin inhibitors, the preparation and use thereof TFPI, SERPINC1, F2 CASP1 203/4885FLT1 165/4885FLT4 570/4885
US-20080255240-A1 Sulfonamide Derivatives FABP4, SQOR, CS CASP1 3504/4885FLT1 4429/4885FLT4 4219/4885

“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.