SCHEMBL2176724

SCHEMBL2176724

O=c1cc[nH]c2cc(F)ccc12

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
HSD17B10 Q99714 1/20 0.61
AHR P35869 2/20 0.53
DAO P14920 1/20 0.50
CCR8 P51685 1/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
GPR84 Q9NQS5 1/20 0.47
KMT2A Q03164 3/20 0.47
FEN1 P39748 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
TDO2 P48775 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL668615 0.84 AHR (0.53) ALDH1A1HSD17B10AHRCCR8LMNA
SCHEMBL12338439 0.78 ALDH1A1 (0.65) ALDH1A1HSD17B10AHRCCR8HPGD
SCHEMBL10587891 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10AHRCCR8GPR84
SCHEMBL5636806 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10AHRDAOCCR8
SCHEMBL30544111 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10AHRDAOCCR8
SCHEMBL12338438 0.76 ALDH1A1 (0.63) ALDH1A1HSD17B10AHRCCR8HPGD
SCHEMBL12663392 0.76 ALDH1A1 (0.63) ALDH1A1HSD17B10CCR8LMNAKMT2A
SCHEMBL8534518 0.76 ALDH1A1 (0.63) ALDH1A1HSD17B10CCR8KMT2A
SCHEMBL13512629 0.76 ALDH1A1 (0.63) ALDH1A1HSD17B10AHRCCR8LMNA
SCHEMBL9400251 0.76 HSD17B10 (1.00) ALDH1A1HSD17B10CCR8HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
CN-105461709-B Substituted urea derivatives and their use in medicine 广东东阳光药业有限公司 2020-01-21 CN disclosed
WO-2017198196-A1 QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY 王子厚 2017-11-23 WO disclosed
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2009-02-12 US disclosed
EP-1994028-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2008-11-26 EP disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099335-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
EP-0990647-B1 PROCESS FOR PRODUCING QUINOLONE DERIVATIVES KIRIN BREWERY (JP) 2003-07-02 EP disclosed
US-6187926-B1 REACTING ORTHO-AMINOACETOPHENONE DERIVATIVE WITH FORMIC ACID ESTER IN APROTIC SOLVENT IN PRESENCE OF BASE, ADDING PROTIC SOLVENT TO REACTION MIXTURE KIRIN BEER KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
EP-0990647-A1 PROCESS FOR PRODUCING QUINOLONE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2000-04-05 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 (4 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-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885HSD17B10 919/4885AHR 2604/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885HSD17B10 919/4885AHR 2604/4885
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER RECQL, NQO2, NRAS ALDH1A1 932/4885HSD17B10 3993/4885AHR 2622/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 ALDH1A1 887/4885HSD17B10 3699/4885AHR 3079/4885

“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.