SCHEMBL3471407

SCHEMBL3471407

N=C(NO)c1cccc2c1ccn2CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ KDM4E B2RXH2 7/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ STAT3 P40763 1/20 0.39
▸ TBXAS1 P24557 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL13065371 0.76 KMT2A (0.56) KMT2AKDM4EALDH1A1PPARGPPARA
SCHEMBL401803 0.75 CREBBP (0.58) ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL3169119 0.74 KMT2A (0.57) KMT2AKDM4EALDH1A1PPARGPPARA
SCHEMBL402819 0.74 CNR1 (0.59) ALDH1A1LMNA
SCHEMBL17063908 0.73 TUBB4A (0.44) KDM4EALDH1A1MAPTRXFP1
SCHEMBL20037232 0.73 KMT2A (0.56) KMT2AKDM4EALDH1A1PPARGPPARA
SCHEMBL12875609 0.73 KMT2A (0.56) KMT2AKDM4EALDH1A1PPARGPPARA
SCHEMBL30052151 0.73 KMT2A (0.56) KMT2AKDM4EALDH1A1PPARGPPARA
SCHEMBL3174313 0.73 KMT2A (0.56) KMT2AKDM4EALDH1A1PPARGPPARA
SCHEMBL3471404 0.73 GCGR (0.48) KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 — — 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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 KMT2A 2344/4885KDM4E 3298/4885ALDH1A1 1154/4885

“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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