SCHEMBL6029604

SCHEMBL6029604

CC1(C)CC(=O)C2=C(C1)NC(COCCN)=C(C#N)C2c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.53
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 9/20 0.48
HPGD P15428 4/20 0.48
GSK3A P49840 3/20 0.48
GSK3B P49841 3/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 6/20 0.43
GLA P06280 4/20 0.43
RECQL P46063 1/20 0.43
CASP1 P29466 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CASP7 P55210 2/20 0.42

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
SCHEMBL6028630 0.86 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6028408 0.84 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL6028404 0.83 KDM4E (0.54) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL6027385 0.83 ALDH1A1 (0.42) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL6461825 0.82 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5809520 0.82 GSK3B (0.48) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL6030359 0.81 ALDH1A1 (0.58) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL6029117 0.81 ALDH1A1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL6029626 0.80 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL6029281 0.80 ALDH1A1 (0.69) ALDH1A1MAPTLMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663227-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS Synta Pharmaceuticals Corporation (US) 2006-06-07 EP claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US claimed
WO-2005025507-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS SYNTA PHAMACEUTICALS CORP. (US) 2005-03-24 WO claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 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-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SLC5A2, SLC5A1, QDPR ALDH1A1 416/4885MAPT 2294/4885MEN1 919/4885

“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.