SCHEMBL5824610

SCHEMBL5824610

Cc1cccc(CCC(=O)Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.53
▸ THRA P10827 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.50
▸ CASP3 P42574 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ DAO P14920 1/20 0.46
▸ CTBP2 P56545 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL19612745 0.86 NAAA (0.55) TAAR1THRATHRBHDAC3HDAC1
SCHEMBL9662576 0.86 NAAA (0.55) TAAR1THRATHRBHDAC3HDAC1
SCHEMBL10980509 0.86 KEAP1 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7337631 0.85 TAAR1 (0.57) TAAR1THRATHRBFFAR4CASP3
SCHEMBL29842802 0.83 ALDH1A1 (0.62) TAAR1THRATHRBFFAR4CASP3
SCHEMBL456436 0.83 FFAR4 (0.67) TAAR1THRATHRBFFAR4CTBP2
SCHEMBL2027905 0.83 ALDH1A1 (0.62) TAAR1THRATHRBFFAR4CASP3
SCHEMBL3053513 0.81 TAAR1 (0.58) TAAR1THRATHRBFFAR4CASP3
SCHEMBL27383221 0.81 TAAR1 (0.53) TAAR1THRATHRBFFAR4CASP3
SCHEMBL726784 0.81 CTBP2 (0.57) TAAR1CASP3CASP7CTBP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 — — WO disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 — — US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 — — US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 — — US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 — — EP disclosed
EP-0273451-B1 LIPOXYGENASE INHIBITORY COMPOUNDS Bristol-Myers Squibb Company (US) 1992-04-01 — — EP disclosed
US-4861798-A Lipoxygenase inhibitory compounds BRISTOL-MYERS COMPANY (US) 1989-08-29 — — US disclosed
EP-0273451-A2 Lipoxygenase inhibitory compounds Bristol-Myers Squibb Company (US) 1988-07-06 — — 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 (2 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA TAAR1 222/4885THRA 238/4885THRB 298/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA TAAR1 327/4885THRA 306/4885THRB 362/4885

“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.

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