SCHEMBL3962374

SCHEMBL3962374

N#C/C=[C]/c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.42
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNA1 Q09470 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.30
PKM P14618 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
SCHEMBL3963260 1.00 HDAC8 (0.42) HDAC8LMNAMAPTKDM4EMEN1
SCHEMBL8122572 0.75 TSHR (0.50) MAPTALDH1A1TSHR
SCHEMBL3963274 0.74 CYP2A6 (0.43) MAPTALDH1A1CYP2D6MAPK1KMT2A
SCHEMBL3963271 0.74 CYP2A6 (0.43) MAPTALDH1A1CYP2D6MAPK1KMT2A
Isonicotinonitrile SCHEMBL151611 0.71
Isonicotinonitrile SCHEMBL2015834 0.71 HDAC8 (0.52) HDAC8LMNAMAPTALDH1A1TSHR
Isonicotinonitrile SCHEMBL12264099 0.71
SCHEMBL8051285 0.70
Isonicotinonitrile SCHEMBL17162916 0.69
Isonicotinonitrile SCHEMBL17536705 0.69

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
US-7560473-B2 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES, P.L.A. (CN) 2009-07-14 US disclosed
US-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2004-12-30 US disclosed
EP-1386908-A1 AMINE DERIVATIVE WITH POTASSIUM CHANNEL REGULATORY FUNCTION, ITS PREPARATION AND USE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2004-02-04 EP 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-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use KCNMA1, KCNA5, KCNA1 HDAC8 2814/4885LMNA 489/4885MAPT 2941/4885

“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.