SCHEMBL4175173

SCHEMBL4175173

O=c1c(-c2ccccc2)coc2cc(O)c(Cl)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
SMN1; SMN2 Q16637 7/20 0.63
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
KDM4E B2RXH2 5/20 0.63
POLB P06746 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
ALOX12 P18054 4/20 0.61
ALOX15 P16050 3/20 0.61
MAPT P10636 6/20 0.55
HPGD P15428 4/20 0.55
TP53 P04637 3/20 0.55
CYP3A4 P08684 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HSD17B10 Q99714 3/20 0.55
BLM P54132 2/20 0.55
USP2 O75604 1/20 0.55
BRCA1 P38398 1/20 0.55
EGFR P00533 1/20 0.53

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
SCHEMBL678221 0.89 ALOX15 (0.78) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL11082015 0.88 ALOX12 (0.77) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL234545 0.87 ALOX12 (0.51) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2942244 0.86 ALOX12 (0.62) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL19236369 0.86 ALOX12 (0.62) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL14396312 0.85 ABCB1 (0.61) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5267926 0.85 EGFR (0.54) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5266770 0.85 RAB9A (0.64) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5266878 0.83 ALOX12 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5271608 0.83 ALOX12 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E

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-20090192152-A1 Novel Antigiardial Agents and Methods of Use Thereof UNIVERSITY OF MISSISSIPPI 2009-07-30 US disclosed
US-7468445-B2 Antigiardial agents and use thereof UNIVERSITY OF MISSISSIPPI (US) 2008-12-23 US disclosed
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 EP disclosed
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 EP disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 US disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 US disclosed
US-20060106091-A1 Antigiardial agents and use thereof THE UNIVERSITY OF MISSISSIPPI 2006-05-18 US disclosed
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2005-10-06 US disclosed
EP-1456180-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER Vernalis (Oxford) Ltd (GB) 2004-09-15 EP disclosed
WO-2004014886-A1 ANTIGIARDIAL AGENTS AND USE THEREOF UNIVERSITY OF MISSISSIPPI (US) 2004-02-19 WO disclosed
WO-2003055860-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2003-07-10 WO disclosed
CN-1129445-A Isoflavone derivatives CHINOIN GYOGYSZER ES VEGYESZET (HU) 1996-08-21 CN disclosed
EP-0710234-A1 ISOFLAVONE DERIVATIVES CHINOIN LTD. (HU) 1996-05-08 EP disclosed
WO-1995003293-A1 ISOFLAVONE DERIVATIVES CHINOIN LTD. (HU) 1995-02-02 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 (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-20060106091-A1 Antigiardial agents and use thereof GPER1, ENPP2, ALPI ALDH1A1 2026/4885SMN1; SMN2 3704/4885RAB9A 1440/4885
US-20090192152-A1 Novel Antigiardial Agents and Methods of Use Thereof ENPP2, GPER1, ALPI ALDH1A1 2472/4885SMN1; SMN2 4129/4885RAB9A 1314/4885
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 986/4885SMN1; SMN2 4757/4885RAB9A 3155/4885

“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.