SCHEMBL5639675

SCHEMBL5639675

N#Cc1cccc2ccccc12.N=C=O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.63
CA2 P00918 4/20 0.63
HTT P42858 1/20 0.50
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GRM5 P41594 1/20 0.41
IMPDH2 P12268 2/20 0.39
IMPDH1 P20839 2/20 0.39
TSHR P16473 2/20 0.39
CHAT P28329 1/20 0.38
CYP2A6 P11509 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 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
SCHEMBL59702 0.89 CA1 (0.69) CA1CA2HTTMCL1ALDH1A1
Formaldehyde SCHEMBL28349296 0.88 CA1 (0.68) CA1CA2HTTMCL1ALDH1A1
Hydrogen Sulfide SCHEMBL29288363 0.87 CA1 (0.67) CA1CA2HTTMCL1ALDH1A1
SCHEMBL27788199 0.87 CA1 (0.67) CA1CA2HTTMCL1ALDH1A1
SCHEMBL27593533 0.87 CA1 (0.67) CA1CA2HTTMCL1ALDH1A1
Hydrochloric Acid SCHEMBL25405344 0.87 CA1 (0.67) CA1CA2HTTMCL1ALDH1A1
SCHEMBL28118590 0.87 CA1 (0.67) CA1CA2HTTMCL1ALDH1A1
Ammonia Solution, Strong SCHEMBL27660602 0.87 CA1 (0.67) CA1CA2HTTMCL1ALDH1A1
Formic Acid SCHEMBL28913011 0.82 CA1 (0.61) CA1CA2HTTMCL1ALDH1A1
SCHEMBL28397671 0.80 TSHR (0.50) CA1CA2HTTMCL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256208-B2 Monocyclic N-Aryl hydantoin modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-14 US disclosed
US-20050153968-A1 Monocyclic N-aryl hydantoin modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US disclosed
WO-2005049580-A1 MONOCYCLIC N-ARYL HYDANTOIN MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 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-20050153968-A1 Monocyclic N-aryl hydantoin modulators of androgen receptor function AR, NR5A1, CYP19A1 CA1 3865/4885CA2 2457/4885HTT 664/4885

“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.