SCHEMBL6747189

SCHEMBL6747189

CNC(=O)n1c(C)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
CCR2 P41597 1/20 0.38
SLC6A2 P23975 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6750905 0.84 CYP19A1 (0.49) MEN1KMT2ARXFP1CYP19A1ALDH1A1
SCHEMBL27909522 0.83 KMT2A (0.45) MEN1KMT2ARXFP1CYP19A1ALDH1A1
SCHEMBL6750946 0.83 MEN1 (0.41) MEN1KMT2ARXFP1CYP19A1ALDH1A1
SCHEMBL27628310 0.83 CYP19A1 (0.45) MEN1KMT2ARXFP1CYP19A1ALDH1A1
SCHEMBL6662432 0.82 KMT2A (0.45) MEN1KMT2ARXFP1CYP19A1ALDH1A1
SCHEMBL5446082 0.77 MAPT (0.46) MEN1KMT2ARXFP1CYP19A1ALDH1A1
SCHEMBL6750910 0.77 GAA (0.46) MEN1KMT2ARXFP1CYP19A1ALDH1A1
SCHEMBL5113851 0.77 KMT2A (0.49) MEN1KMT2ARXFP1CYP19A1ALDH1A1
SCHEMBL6490943 0.77 CYP19A1 (0.43) MEN1KMT2ARXFP1CYP19A1ALDH1A1
SCHEMBL29540947 0.77 MAPT (0.46) MEN1KMT2ARXFP1CYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833456-B2 Heterocyclic sulfides such as 5-(2-(2R-Hydroxymethyl-pyrrolidine-1-carbonyl)-thieno(3,2-b)pyridin-7 -ylamino)-2-methyl-indole-1-carboxylic acid methylamide, used as angiogenesis inhibitors AGOURON PHARMACEUTICALS, INC. 2004-12-21 US disclosed
US-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use ROMINES WILLIAM HENRY (US) 2004-01-29 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-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use CDKN1A, CCNA1, TYMP MEN1 1747/4885KMT2A 3784/4885RXFP1 380/4885

“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.