SCHEMBL5704375

SCHEMBL5704375

N#Cc1c(Cl)ccc(C(=O)CF)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
P2RX7 Q99572 1/20 0.33
CCR2 P41597 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL8491415 0.79 TSHR (0.47) NOTUMCYP1A2MAPTCXCR1CXCR2
SCHEMBL28908230 0.75 DPP4 (0.39) CYP3A4MAPTKMT2AP2RX7ERCC5
SCHEMBL23754038 0.73 KDM4E (0.43) CYP1A2CYP3A4MAPTCYP2C19CYP2C9
SCHEMBL11329865 0.72 HTT (0.50) NOTUMTAS1R3TAS1R1TAS1R2CYP1A2
SCHEMBL17716653 0.72 ERCC5 (0.32) ERCC5FEN1ALDH1A1MAPK1HIF1A
SCHEMBL24410395 0.70 MAPT (0.41) CYP1A2CYP3A4MAPTCYP2C19KMT2A
SCHEMBL18149189 0.69 NOTUM (0.43) NOTUMTAS1R3TAS1R1TAS1R2CYP1A2
SCHEMBL4422003 0.69 ALDH1A1 (0.46) NOTUMCYP1A2CYP3A4MAPTCYP2C19
SCHEMBL14661373 0.68 P2RX7 (0.46) CYP2C9CXCR1CXCR2P2RX7MRGPRX4
SCHEMBL9820959 0.68 GSK3B (0.40) CYP1A2CYP3A4MAPTCYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319656-B1 A NEW PROCESS FOR PREPARING A QUINOLONE-CARBOXYLIC ACID LYNCHEM CO LTD (CN) 2006-08-23 EP disclosed
US-6699992-B2 REACTING M-FLUOROACETOPHENONE COMPOUND WITH ALKYL CARBONATE; REACTING ESTER OBTAINED WITH ALKYL ORTHOFORMATE AND AMINE; CYCLIZATION IN BASE LYNCHEM CO., LTD. (CN) 2004-03-02 US disclosed
US-20030166936-A1 Process for preparing a quinolone-carboxylic acid LYNCHEM CO., LTD. (CN) 2003-09-04 US disclosed
EP-1319656-A1 A NEW PROCESS FOR PREPARING A QUINOLONE-CARBOXYLIC ACID Lynchem Co., Ltd. (CN) 2003-06-18 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 (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-20030166936-A1 Process for preparing a quinolone-carboxylic acid CYP4B1, QPCT, NQO2 NOTUM 3283/4885TAS1R3 3436/4885TAS1R1 2550/4885

“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.