SCHEMBL229908

SCHEMBL229908

O=C(NCc1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.56
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
CYP2C19 P33261 3/20 0.51
CYP2C9 P11712 2/20 0.51
GAA P10253 2/20 0.50
CNR1 P21554 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
FAAH O00519 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
MMP13 P45452 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL17658700 0.87 MEN1 (0.61) MEN1KMT2AALDH1A1CYP2C19CYP2C9
SCHEMBL21329860 0.86 GAA (0.66) MGLLMEN1KMT2AALDH1A1MAPT
SCHEMBL21410320 0.86 MGLL (0.56) MGLLCYP2C19CYP2C9GAAFAAH
SCHEMBL20369602 0.86 MGLL (0.60) MGLLMEN1KMT2AMAPTHTT
SCHEMBL3757985 0.86 CYP2C9 (0.60) MGLLMEN1KMT2AALDH1A1MAPT
SCHEMBL599832 0.86 CYP2C9 (0.67) MGLLMEN1KMT2ACYP2C19CYP2C9
SCHEMBL3765118 0.85 MGLL (0.55) MGLLMEN1KMT2AMAPTCYP2C19
SCHEMBL1196240 0.85 MGLL (0.53) MGLLMEN1KMT2ACYP2C19CYP2C9
SCHEMBL15567365 0.84 MMP13 (0.67) MGLLMEN1KMT2AALDH1A1MAPT
SCHEMBL15231555 0.81 CYP2C9 (0.55) MGLLMEN1KMT2AMAPTHTT

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-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 US disclosed
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 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 (3 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-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR2C MGLL 4338/4885MEN1 3878/4885KMT2A 856/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C MGLL 4338/4885MEN1 3878/4885KMT2A 856/4885
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 MGLL 3550/4885MEN1 4719/4885KMT2A 1976/4885

“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.