SCHEMBL3378535

SCHEMBL3378535

NCc1nc(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 6/20 0.56
▸ RXRB P28702 6/20 0.56
▸ NR4A2 P43354 5/20 0.56
▸ RXRG P48443 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ NOTUM Q6P988 1/20 0.42
▸ DPP4 P27487 2/20 0.42

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
SCHEMBL3378347 0.80 RXRA (0.53) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL5098772 0.74 NR4A2 (0.60) RXRARXRBNR4A2RXRGKDM4E
Hydrochloric Acid SCHEMBL11714388 0.72 NR4A2 (0.61) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL7513361 0.72 NR4A2 (0.53) RXRARXRBNR4A2ALDH1A1MAOB
SCHEMBL11755172 0.71 NR4A2 (0.58) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL28921929 0.70 RXRA (0.51) RXRARXRBNR4A2RXRGNPC1
SCHEMBL8560340 0.70 RXRA (0.46) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL11754130 0.69 NR4A2 (0.56) RXRARXRBNR4A2RXRGKDM4E
SCHEMBL15489590 0.67 NPC1 (0.50) RXRARXRBNR4A2KDM4ENPC1
SCHEMBL8146050 0.67 NR4A2 (0.83) RXRARXRBNR4A2RXRGKDM4E

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
EP-1966173-B1 HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-11-17 — — EP disclosed
US-7618991-B2 Heterocyclic derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-11-17 — — US disclosed
US-20080269303-A1 HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-10-30 — — US disclosed
EP-1966173-A2 HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-09-10 — — EP disclosed
WO-2007068815-A2 HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-21 — — 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 (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-20080269303-A1 HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, NQO1 RXRA 724/4885RXRB 899/4885NR4A2 1982/4885

“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.

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