SCHEMBL2869168

SCHEMBL2869168

Nc1ccc2ccn(CC(=O)O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
KMO O15229 1/20 0.48
PPARD Q03181 6/20 0.47
PPARG P37231 5/20 0.47
PPARA Q07869 5/20 0.47
NTSR1 P30989 1/20 0.46
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
APOBEC3A P31941 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
EGFR P00533 1/20 0.40
MCL1 Q07820 3/20 0.40
HTR6 P50406 1/20 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
SCHEMBL3353214 0.87 LMNA (0.44) KMT2AKMOPPARDPPARGPPARA
SCHEMBL13139567 0.85 NTSR1 (0.45) KMT2AKMONTSR1KDM4EALDH1A1
SCHEMBL23631670 0.84 KDM4E (0.48) KMT2AKMOPPARDPPARGPPARA
SCHEMBL3355234 0.81 KDM4E (0.48) KMT2ANTSR1KDM4EALDH1A1HPGD
SCHEMBL3354522 0.81 GRIN2B (0.45) NTSR1
SCHEMBL3354646 0.81 NTSR1 (0.51) KMT2ANTSR1KDM4EALDH1A1HPGD
SCHEMBL16156155 0.80 KMT2A (0.60) KMT2AKMOPPARDPPARGPPARA
SCHEMBL1576364 0.80 KMO (0.72) KMT2AKMOPPARDPPARGPPARA
SCHEMBL29957878 0.80 KMO (0.72) KMT2AKMOPPARDPPARGPPARA
SCHEMBL27898692 0.80 KMT2A (0.60) KMT2AKMOPPARDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
EP-2393803-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB KMT2A 2512/4885KMO 452/4885PPARD 3478/4885

“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.