SCHEMBL14988959

SCHEMBL14988959

O=C(O)Nc1nc(-c2ccccc2[N+](=O)[O-])c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.41
GUSB P08236 1/20 0.41
F2 P00734 1/20 0.41
C1R P00736 1/20 0.41
DDX3X O00571 1/20 0.41

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
SCHEMBL14988958 1.00 ALDH1A1 (0.44) ALDH1A1TDP1HDAC3HDAC4HDAC1
SCHEMBL14988703 0.82 NPSR1 (0.39) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL14988927 0.78 MEN1 (0.53) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL5766529 0.76 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL21373453 0.75 IKBKB (0.61) ALDH1A1TDP1HDAC3HDAC4HDAC1
SCHEMBL10966433 0.75 HDAC3 (0.67) ALDH1A1TDP1HDAC3HDAC4HDAC1
SCHEMBL12881747 0.74 ALDH1A1 (0.57) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL9206937 0.74 ALDH1A1 (0.47) ALDH1A1TDP1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL14988800 0.73 MGAM (0.47) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL14988947 0.71 ADORA3 (0.45) TDP1KMT2AF2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975411-B2 Therapeutic agent for neurological diseases NEUGEN PHARMA INC. (JP) 2015-03-10 US disclosed
EP-2599776-B1 THERAPEUTIC AGENT FOR NEUROLOGICAL DISEASES NEUGEN PHARMA INC (JP) 2014-10-15 EP disclosed
US-20130190363-A1 THERAPEUTIC AGENT FOR NEUROLOGICAL DISEASES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2013-07-25 US disclosed
EP-2599776-A1 THERAPEUTIC AGENT FOR NEUROLOGICAL DISEASES Neugen Pharma Inc. (JP) 2013-06-05 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-20130190363-A1 THERAPEUTIC AGENT FOR NEUROLOGICAL DISEASES AIFM1, AIFM2, GPX4 ALDH1A1 448/4885TDP1 1309/4885HDAC3 180/4885

“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.