SCHEMBL5657902

SCHEMBL5657902

O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 5/20 0.53
MAPT P10636 3/20 0.53
TP53 P04637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
POLB P06746 2/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.50
MAPKAPK2 P49137 2/20 0.48
PTGIR P43119 1/20 0.48
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL5659202 0.85 ADRA2A (0.55) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5657222 0.84 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CRAB9A
SCHEMBL5658806 0.78 WDR5 (0.55) LMNAHPGDHTTPTGIRADRA2A
SCHEMBL5657555 0.78 ADRA2A (0.50) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5659297 0.76 MMP13 (0.57) LMNAPOLBMAPK1PTGIRADRA2A
SCHEMBL20764007 0.75 ALDH1A1 (0.66) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL5657340 0.75 ADRA2A (0.58) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5657963 0.75 ADRA2A (0.55) LMNAPTGIRADRA2AADRA2BADRA2C
SCHEMBL5655906 0.75 ADRA2A (0.55) KDM4EALDH1A1MAPTHTTPTGIR
SCHEMBL5657240 0.75 ADRA2A (0.55) MAPK1PTGIRADRA2AADRA2BADRA2C

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-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US 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 (1 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR KDM4E 3464/4885ALDH1A1 2894/4885LMNA 4822/4885

“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.