SCHEMBL3028744

SCHEMBL3028744

COc1ccc(CCC#N)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TSHR P16473 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
APLNR P35414 1/20 0.39
NMT2 O60551 4/20 0.38
NMT1 P30419 4/20 0.38
MAPT P10636 2/20 0.38
ADRA1A P35348 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL27558957 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AGAAMEN1APLNR
SCHEMBL1237862 0.82 TSHR (0.41) ALDH1A1KMT2AGAAMEN1HPGD
SCHEMBL9917312 0.78 KMT2A (0.48) ALDH1A1KMT2AGAAMEN1HPGD
SCHEMBL1458122 0.78 ALDH1A1 (0.42) ALDH1A1GAAADRA1ATAAR1
SCHEMBL12226957 0.77 CYP2D6 (0.53) ALDH1A1KMT2AMEN1HPGDAPOBEC3A
SCHEMBL12340483 0.77 TAAR1 (0.62) ALDH1A1KMT2AMEN1TSHRMAOB
SCHEMBL20901309 0.77 KMT2A (0.47) ALDH1A1KMT2AGAAMEN1HPGD
SCHEMBL5176606 0.76 KMT2A (0.47) ALDH1A1KMT2AMEN1HPGDAPOBEC3A
SCHEMBL11295684 0.75 GPR84 (0.47) ALDH1A1KMT2AGAAMEN1KDM1A
SCHEMBL15650230 0.75 ALDH1A1 (0.43) ALDH1A1KMT2AGAAMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
EP-2203454-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. Organon (NL) 2010-07-07 EP disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 WO disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 ALDH1A1 566/4885KMT2A 2260/4885GAA 1297/4885

“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.