SCHEMBL13100676

SCHEMBL13100676

Cc1nccc2[nH]c3ccccc3c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
GABRP O00591 2/20 0.59
GABRD O14764 2/20 0.59
GABRA1 P14867 2/20 0.59
GABRB1 P18505 2/20 0.59
GABRG2 P18507 2/20 0.59
GABRB3 P28472 2/20 0.59
GABRA5 P31644 2/20 0.59
GABRA3 P34903 2/20 0.59
GABRA2 P47869 2/20 0.59
GABRB2 P47870 2/20 0.59
GABRA4 P48169 2/20 0.59
GABRE P78334 2/20 0.59
GABRA6 Q16445 2/20 0.59
GABRG1 Q8N1C3 2/20 0.59
GABRG3 Q99928 2/20 0.59
GABRQ Q9UN88 2/20 0.59
MEN1 O00255 1/20 0.59

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
SCHEMBL11499479 0.85 GABRP (0.51) KDM4ECYP3A4CYP2D6GABRPGABRD
SCHEMBL10082102 0.80 GABRA1 (0.62) KDM4ECYP3A4CYP2D6GABRPGABRD
SCHEMBL25463172 0.80 ACHE (0.53) KDM4ECYP3A4CYP2D6GABRPGABRD
SCHEMBL30448074 0.78 UTS2R (0.54) CYP3A4CYP2D6ALDH1A1HSD17B10UTS2R
SCHEMBL11888526 0.78 IMPDH2 (0.56) CYP3A4CYP2D6GABRPGABRDGABRA1
SCHEMBL16156559 0.78 UTS2R (0.54) CYP3A4CYP2D6GABRPGABRDGABRA1
SCHEMBL10546827 0.78 UTS2R (0.54) CYP3A4CYP2D6ALDH1A1HSD17B10UTS2R
SCHEMBL12016685 0.77 KIF11 (0.51) KDM4ECYP3A4CYP2D6GABRPGABRD
SCHEMBL28371639 0.77 UTS2R (0.65) CYP3A4CYP2D6UTS2RKCNH2
Hydrochloric Acid SCHEMBL30448693 0.76 UTS2R (0.53) CYP3A4CYP2D6ALDH1A1HSD17B10UTS2R

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-3248230-B1 USE OF ORGANIC MOLECULES IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2020-05-06 EP disclosed
US-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT KAGOSHIMA UNIVERSITY 2010-10-07 US disclosed
US-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT KAGOSHIMA UNIVERSITY 2010-10-07 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-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT H1-10, MAVS, HNRNPH3 KDM4E 1235/4885CYP3A4 3154/4885CYP2D6 3793/4885

“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.