SCHEMBL1480758

SCHEMBL1480758

CCn1cc(-c2ccc(Cl)cc2Cl)nc1/C=C/c1cc(-c2ccc(OCc3ccc(C(=O)O)cc3)cc2)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.42
PTGER1 P34995 4/20 0.41
NR4A2 P43354 2/20 0.40
TNFRSF1A P19438 1/20 0.39
SUV39H2 Q9H5I1 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
EGLN1 Q9GZT9 2/20 0.38
POLB P06746 1/20 0.38
ALKBH1 Q13686 3/20 0.38

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
SCHEMBL1480759 1.00 MRGPRX4 (0.42) MRGPRX4PTGER1NR4A2TNFRSF1ASUV39H2
SCHEMBL1481926 0.94 EGLN1 (0.46) MRGPRX4PTGER1NR4A2TNFRSF1AKDM4E
SCHEMBL1481923 0.94 EGLN1 (0.46) MRGPRX4PTGER1NR4A2TNFRSF1AKDM4E
SCHEMBL1480168 0.94 NPC1 (0.41) MRGPRX4PTGER1NPC1RAB9ASMN1; SMN2
SCHEMBL1480170 0.94 NPC1 (0.41) MRGPRX4PTGER1NPC1RAB9ASMN1; SMN2
SCHEMBL1481534 0.91 NR4A2 (0.41) MRGPRX4PTGER1NR4A2NPC1RAB9A
SCHEMBL1481535 0.91 NR4A2 (0.41) MRGPRX4PTGER1NR4A2NPC1RAB9A
SCHEMBL1481519 0.91 PTPN11 (0.40) MRGPRX4PTGER1SUV39H2NPC1RAB9A
SCHEMBL1481522 0.91 PTPN11 (0.40) MRGPRX4PTGER1SUV39H2NPC1RAB9A
SCHEMBL1480827 0.89 NR4A2 (0.41) MRGPRX4PTGER1NR4A2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ MRGPRX4 3578/4885PTGER1 1596/4885NR4A2 3126/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ MRGPRX4 3578/4885PTGER1 1596/4885NR4A2 3126/4885

“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.