SCHEMBL4034045

SCHEMBL4034045

Nc1ccc(C(=O)c2cccs2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 6/20 0.52
ALOX15 P16050 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PSMD14 O00487 1/20 0.52
MMP2 P08253 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
CYP2C9 P11712 1/20 0.46
GFER P55789 1/20 0.45
HPGDS O60760 1/20 0.45

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
Hydrochloric Acid SCHEMBL10333812 0.86 HSD17B10 (0.58) HPGDHTTHSD17B10MAPK1MAPT
SCHEMBL11755917 0.84 SMN1; SMN2 (0.68) HPGDMAPTALOX15ALDH1A1SMN1; SMN2
SCHEMBL11703887 0.81 NPC1 (0.50) HPGDHSD17B10MAPTALOX15ALDH1A1
SCHEMBL7090488 0.79 JAK2 (0.53) HPGDHSD17B10MAPTALOX15ALDH1A1
SCHEMBL9821675 0.78 TP53 (0.66) HPGDHTTHSD17B10MAPTALOX15
SCHEMBL30421622 0.78 TP53 (0.66) HPGDHTTHSD17B10MAPTALOX15
SCHEMBL5213288 0.76 RECQL (0.55) HPGDHTTHSD17B10MAPTALOX15
SCHEMBL7075146 0.76 RORB (0.43) HPGDHTTHSD17B10MAPK1MAPT
SCHEMBL8305373 0.76 JAK2 (0.46) HPGDHSD17B10MAPK1MAPTALOX15
Cliprofen SCHEMBL29910028 0.75 PTGS1 (0.63) HPGDHSD17B10MAPK1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO 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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 HPGD 1726/4885HTT 3456/4885HSD17B10 4829/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 HPGD 1767/4885HTT 3322/4885HSD17B10 4876/4885

“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.