SCHEMBL872298

SCHEMBL872298

CCNC(=NO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
GAA P10253 5/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 2/20 0.38
HPGD P15428 3/20 0.38
ALPL P05186 1/20 0.38
ALOX12 P18054 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 3/20 0.37
NAAA Q02083 1/20 0.37
CES1 P23141 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 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
SCHEMBL21163690 1.00 ATM (0.42) ATMGAAALDH1A1TSHRNPSR1
SCHEMBL3064720 0.82 ATM (0.41) ATMGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL25457493 0.82 TDP1 (0.41) GAAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL3064719 0.82 ATM (0.41) ATMGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL21163490 0.80 HPGD (0.44) ATMALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL7459183 0.79 TSHR (0.40) GAAALDH1A1TSHRNPSR1MAPT
SCHEMBL28635370 0.78 ALOX12 (0.50) GAAALDH1A1MAPTPOLBHPGD
SCHEMBL28635369 0.78 ALOX12 (0.50) GAAALDH1A1MAPTPOLBHPGD
SCHEMBL9861050 0.77 NPC1 (0.54) GAATSHRSMN1; SMN2HPGDALPL
SCHEMBL9579814 0.77 NPC1 (0.54) GAATSHRSMN1; SMN2HPGDALPL

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-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2012-03-29 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-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals CYP2B6, CYP1A2, CYP2D6 ATM 4074/4885GAA 355/4885ALDH1A1 95/4885

“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.