SCHEMBL16170251

SCHEMBL16170251

COc1c(C)c(C)cc2c1NC1(CCCCC1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.39
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL16163155 0.81 PDE7A (0.42) PDE7ALMNAALDH1A1MAPK1HTT
SCHEMBL16170254 0.79 CDK4 (0.33) HTT
SCHEMBL16170252 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL16170241 0.73
SCHEMBL16170238 0.69 KDM4E (0.32) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL14773646 0.65 CA1 (0.44) PDE7ALMNAALDH1A1MAPK1HTT
SCHEMBL16163174 0.65 PDE7A (0.62) PDE7AALDH1A1MAPK1HTTKMT2A
SCHEMBL16170237 0.63 POLB (0.45) PDE7AALDH1A1HTTKMT2APOLB
SCHEMBL14773752 0.61 EGFR (0.46) PDE7AALDH1A1MAPK1KMT2AMEN1
SCHEMBL18786743 0.60 PDE7A (0.53) PDE7AKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145364-B2 Synthesis of psuedo indoxyl derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-09-29 US disclosed
US-20140309434-A1 SYNTHESIS OF PSUEDO INDOXYL DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-10-16 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-20140309434-A1 SYNTHESIS OF PSUEDO INDOXYL DERIVATIVES IPO4, IPO11, IDO2 PDE7A 4553/4885LMNA 3364/4885ALDH1A1 2135/4885

“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.