SCHEMBL14964429

SCHEMBL14964429

C=C(c1cc(N)ccc1C)c1cc(N)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
CASP1 P29466 4/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 3/20 0.46
PDE10A Q9Y233 1/20 0.46
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 3/20 0.39
MEN1 O00255 3/20 0.38
THRB P10828 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
POLB P06746 3/20 0.38
ALOX15 P16050 2/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
APEX1 P27695 1/20 0.38
BLM P54132 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
SCHEMBL20076793 0.84 ALDH1A1 (0.56) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL21020629 0.84 ALDH1A1 (0.50) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL27825872 0.78 ALDH1A1 (0.44) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL23228845 0.78 MAPK14 (0.49) ALDH1A1CASP1TSHRPDE10AMAPT
SCHEMBL2323573 0.76 ALDH1A1 (0.61) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL2314690 0.76 ALDH1A1 (0.50) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL29783490 0.76 ALDH1A1 (0.61) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL328278 0.76 CASP1 (0.50) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL1321845 0.75 GAA (0.62) ALDH1A1CASP1TSHRKDM4EMAPT
SCHEMBL6761758 0.75 CASP1 (0.45) ALDH1A1CASP1TSHRCYP3A4PDE10A

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-8835686-B2 Controlled assembly of charged nanoparticles using functionalized graphene nanomesh INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-09-16 US disclosed
US-20130131383-A1 Controlled Assembly of Charged Nanoparticles Using Functionalized Graphene Nanomesh INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-05-23 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-20130131383-A1 Controlled Assembly of Charged Nanoparticles Using Functionalized Graphene Nanomesh STOM, CYTH3, TTN ALDH1A1 4160/4885CASP1 2237/4885TSHR 1378/4885

“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.