SCHEMBL5824864

SCHEMBL5824864

Cc1cccc(C(=O)N=C=S)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
TRPA1 O75762 2/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1B10 O60218 1/20 0.39
ABCB11 O95342 1/20 0.39
DHFR P00374 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM1 P11229 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL1135687 0.85 HPGD (0.42) KMT2AHPGDNPC1RAB9AHTT
SCHEMBL4743346 0.84 ESR1 (0.42) ESR1ESR2KMT2ALMNATRPA1
SCHEMBL23022660 0.79 PDCD1 (0.42) KMT2AMEN1ALDH1A1TSHRMYC
SCHEMBL27885149 0.76 ESR1 (0.45) ESR1ESR2KMT2ALMNATRPA1
SCHEMBL11912036 0.74 ESR1 (0.44) ESR1ESR2KMT2ALMNATRPA1
SCHEMBL23079045 0.72 ESR1 (0.49) ESR1ESR2KMT2ALMNATRPA1
SCHEMBL28012562 0.72 P2RX7 (0.50) KMT2ALMNACYP3A4NAPRTTDP1
SCHEMBL9864607 0.72 ESR1 (0.52) ESR1ESR2KMT2ALMNATRPA1
SCHEMBL29515031 0.72 KMT2A (0.52) ESR1ESR2KMT2ALMNATRPA1
SCHEMBL310386 0.72 KMT2A (0.52) ESR1ESR2KMT2ALMNATRPA1

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
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

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 ESR1 1243/4885ESR2 928/4885KMT2A 2022/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA ESR1 1990/4885ESR2 1144/4885KMT2A 2006/4885

“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.