SCHEMBL5458697

SCHEMBL5458697

COc1c(C(=O)Cl)cc(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.39
HSD17B2 P37059 3/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TUBB1 Q9H4B7 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 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
SCHEMBL605762 0.87 ALDH1A1 (0.39) HSD17B1HSD17B2ALDH1A1ALOX15CES2
SCHEMBL5272363 0.87 ALDH1A1 (0.39) HSD17B1HSD17B2ALDH1A1ALOX15MEN1
SCHEMBL10912845 0.86 HSD17B1 (0.40) HSD17B1HSD17B2ALDH1A1ALOX15KDM4E
SCHEMBL1617264 0.83 HSD17B10 (0.49) HSD17B1HSD17B2ALDH1A1CDK1CDK4
SCHEMBL18186528 0.82 HSD17B1 (0.38) HSD17B1HSD17B2ALDH1A1ALOX15CES2
SCHEMBL28113807 0.80 HSD17B1 (0.43) HSD17B1HSD17B2ALDH1A1ALOX15TUBB1
SCHEMBL28746145 0.79 HSD17B1 (0.32) HSD17B1HSD17B2
SCHEMBL27930766 0.78 CES2 (0.44) HSD17B1HSD17B2ALDH1A1ALOX15CES2
SCHEMBL345016 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15CES2CES1POLB
SCHEMBL21946023 0.76 ALDH1A1 (0.37) HSD17B1HSD17B2ALDH1A1ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111377826-B Green synthesis process of key intermediate of quinolone 浙江本立科技股份有限公司 2021-03-02 CN disclosed
CN-111377826-A Green synthesis process of key intermediate of quinolone 浙江本立科技股份有限公司 2020-07-07 CN disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
EP-1343766-B1 CYCLIZATION PROCESS STEP IN THE MAKING OF QUINOLONES AND NAPHTHYRIDINES PROCTER & GAMBLE (US) 2005-07-27 EP disclosed
EP-1343766-A1 CYCLIZATION PROCESS STEP IN THE MAKING OF QUINOLONES AND NAPHTHYRIDINES THE PROCTER & GAMBLE COMPANY (US) 2003-09-17 EP disclosed
WO-2002048113-A1 CYCLIZATION PROCESS STEP IN THE MAKING OF QUINOLONES AND NAPHTHYRIDINES THE PROCTER & GAMBLE COMPANY (US) 2002-06-20 WO disclosed
US-6207678-B1 USED FOR TREATING INFLAMMATORY DISEASE SUCH AS ARTHRITIS, PSORIASIS, ASTHMA OR INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM DISORDER SUCH AS ANXIETY, DEPRESSION, DEMENTIA OR PSYCHOSIS, GASTROINTESTINAL DISORDERS PFIZER INC 2001-03-27 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 (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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 HSD17B1 881/4885HSD17B2 679/4885ALDH1A1 39/4885

“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.