SCHEMBL874320

SCHEMBL874320

O=C(O)Cc1n[nH]c([N+](=O)[O-])n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
TYMP P19971 1/20 0.35
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
BLM P54132 1/20 0.33
HBB P68871 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP2C9 P11712 1/20 0.33
GRK6 P43250 4/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL28122926 0.71 CYP1A2 (0.36) CYP1A2ALDH1A1MAPTCASP7CASP6
SCHEMBL12473222 0.67 LMNA (0.41) CYP1A2MAPTLMNAKMT2APOLB
SCHEMBL11318233 0.66 CYP1A2 (0.53) CYP1A2MAPTMEN1LMNAKMT2A
SCHEMBL26071465 0.65 CYP1A2 (0.35) CYP1A2ALDH1A1MAPTCASP7CASP6
SCHEMBL7122558 0.65 CYP1A2 (0.67) CYP1A2ALDH1A1MAPTLMNAHIF1A
SCHEMBL1172467 0.65 CYP1A2 (0.40) CYP1A2MAPTCYP2C9POLB
SCHEMBL27725626 0.64 HPGD (0.40) CYP1A2ALDH1A1MAPTCASP7CASP6
SCHEMBL27683382 0.64 CYP1A2 (0.38) CYP1A2ALDH1A1MAPTCASP7CASP6
SCHEMBL16145055 0.64 GRK6 (0.54) CYP1A2ALDH1A1MEN1LMNAKMT2A
SCHEMBL8339829 0.63 MAPT (0.56) CYP1A2ALDH1A1MAPTCASP7CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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 (2 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D CYP1A2 1223/4885ALDH1A1 1228/4885MAPT 1996/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D CYP1A2 1223/4885ALDH1A1 1228/4885MAPT 1996/4885

“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.