SCHEMBL5825205

SCHEMBL5825205

Cc1cc(C)cc(C(=O)N=C=S)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.46
HCAR1 Q9BXC0 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
C1S P09871 1/20 0.35
PRSS3 P35030 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
PARP1 P09874 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL3049569 0.81 PARP1 (0.52) HPGDNPC1RAB9AKMT2APARP1
SCHEMBL3208606 0.81 TPMT (0.48) TPMTHCAR1HPGDALDH1A1NPSR1
SCHEMBL2892447 0.79 ALDH1A1 (0.48) HPGDALDH1A1NPSR1NPC1RAB9A
SCHEMBL3890997 0.76 TPMT (0.43) TPMTHCAR1HPGDALDH1A1NPSR1
SCHEMBL5825164 0.75 TPMT (0.46) TPMTHCAR1HPGDALDH1A1RXRA
SCHEMBL28782465 0.75 KDM4E (0.46) HPGDALDH1A1GAAMAPTPOLB
SCHEMBL484049 0.75 TP53 (0.35) HPGDMAPTTSHR
SCHEMBL5825068 0.75 KDM4E (0.41) ALDH1A1NPSR1RXRANPC1RAB9A
SCHEMBL15172358 0.73 TPMT (0.54) TPMTHCAR1HPGDALDH1A1NPSR1
SCHEMBL484004 0.72 L3MBTL1 (0.41) GAAKMT2ATHRBPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-07 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 TPMT 4537/4885HCAR1 63/4885HPGD 2351/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA TPMT 4081/4885HCAR1 151/4885HPGD 2156/4885
US-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS TRRAP, NAT1, AHR TPMT 1082/4885HCAR1 1363/4885HPGD 2292/4885

“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.