SCHEMBL5704378

SCHEMBL5704378

CC(=O)c1cc(F)c(Cl)c(C#N)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
ENPP2 Q13822 1/20 0.34
GAA P10253 2/20 0.33
TSHR P16473 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL5360639 0.84 ALDH1A1 (0.37) TAS1R3TAS1R1TAS1R2ALDH1A1MAPT
SCHEMBL5361238 0.84 KEAP1 (0.44) TAS1R3TAS1R1TAS1R2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9475356 0.83 KEAP1 (0.43) TAS1R3TAS1R1TAS1R2ALDH1A1MAPT
SCHEMBL7038698 0.83 CASP1 (0.39) TAS1R3TAS1R1TAS1R2ALDH1A1MAPT
SCHEMBL7038205 0.76 KEAP1 (0.43) TAS1R3TAS1R1TAS1R2CYP3A4ENPP2
SCHEMBL14408161 0.75 STAT3 (0.36) ALDH1A1MAPTSMN1; SMN2TP53HPGD
SCHEMBL9821175 0.75 CSNK2A2 (0.35) ALDH1A1MAPTSMN1; SMN2MEN1HPGD
SCHEMBL5704420 0.74 KDM4E (0.40) ALDH1A1MAPTMEN1TP53CYP3A4
SCHEMBL29078536 0.74 TSHR (0.37) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL14408183 0.72 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2MEN1TP53

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 TAS1R3 3436/4885TAS1R1 2550/4885TAS1R2 3395/4885

“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.