SCHEMBL3596796

SCHEMBL3596796

COC(=O)C=CO/N=C1\CCCc2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL3606986 0.75 HPGD (0.39) ALDH1A1MAPTHTT
SCHEMBL3606988 0.75 HPGD (0.39) ALDH1A1MAPTHTT
SCHEMBL3601682 0.69 ELANE (0.44) ALDH1A1MAPTHTT
SCHEMBL10142387 0.62 ELANE (0.36)
SCHEMBL21987967 0.60 PARP10 (0.41)
SCHEMBL5357188 0.59 MAPT (0.42) ALDH1A1MAPT
SCHEMBL6926964 0.58 KDM4E (0.43) ALDH1A1MAPTHTT
SCHEMBL6926961 0.58 KDM4E (0.43) ALDH1A1MAPTHTT
SCHEMBL20557488 0.58 GPR119 (0.37)
SCHEMBL5353528 0.58 MAPT (0.43) ALDH1A1MAPT

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
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 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-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 ENPP2 2676/4885ALDH1A1 2469/4885MAPT 2291/4885

“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.