SCHEMBL3963327

SCHEMBL3963327

Nc1ccc(NC=C[N+](=O)[O-])cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36

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
SCHEMBL7195937 0.73 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2AHDAC1
SCHEMBL3963324 0.73 KDM4E (0.34) KDM4EMEN1KMT2AHDAC1HDAC6
SCHEMBL3956328 0.72 TLR4 (0.56) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3963216 0.71 HDAC1 (0.36) KDM4EHDAC1HDAC6GABRPGABRD
SCHEMBL3963704 0.71 VCP (0.53) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28303080 0.70 RAB9A (0.53) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL30945119 0.68 KDM4E (0.38) KDM4EALDH1A1HDAC1HDAC6GABRP
SCHEMBL30945122 0.68 KDM4E (0.38) KDM4EALDH1A1HDAC1HDAC6GABRP
SCHEMBL29230327 0.68 KDM4E (0.38) KDM4EALDH1A1HDAC1HDAC6GABRP
SCHEMBL2578013 0.67 FBP1 (0.57) KDM4EMAPTALDH1A1MEN1KMT2A

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 KDM4E 551/4885MAPT 2941/4885ALDH1A1 428/4885

“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.