SCHEMBL9936980

SCHEMBL9936980

Nc1ncccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.56
POLB P06746 1/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 5/20 0.49
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
PAX8 Q06710 1/20 0.46
KDM4E B2RXH2 2/20 0.46
CTSB P07858 2/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46

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
SCHEMBL57910 1.00 PDE10A (0.56) PDE10APOLBMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL2173960 0.98 PDE10A (0.55) PDE10APOLBMEN1KMT2ARAB9A
Ammonia Solution, Strong SCHEMBL28729548 0.98 PDE10A (0.55) PDE10APOLBMEN1KMT2ARAB9A
Bromide SCHEMBL27900894 0.98 PDE10A (0.55) PDE10APOLBMEN1KMT2ARAB9A
Nitrogen SCHEMBL28247482 0.96 PDE10A (0.53) PDE10APOLBMEN1KMT2ARAB9A
Acetic Acid SCHEMBL29111017 0.89 MEN1 (0.49) PDE10APOLBMEN1KMT2ARAB9A
SCHEMBL1648667 0.87 MAPT (0.49) PDE10APOLBMEN1KMT2ARAB9A
Piperidine SCHEMBL27606158 0.85 CYP1A2 (0.50) PDE10APOLBMEN1KMT2ARAB9A
SCHEMBL8402283 0.83 ALDH1A1 (0.50) PDE10APOLBMEN1KMT2ARAB9A
SCHEMBL7146668 0.80 NPC1 (0.51) POLBMEN1KMT2ARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2955173-B1 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-10-04 EP disclosed
US-9603834-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-03-28 US disclosed
US-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-11 US disclosed
EP-2955173-A1 NOVEL 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-12-16 EP disclosed
EP-2651901-B1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2015-05-27 EP disclosed
US-20140221351-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-08-07 US disclosed
US-8729066-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2014-05-20 US disclosed
US-20140051682-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-20 US disclosed
EP-2651901-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP disclosed
WO-2012082633-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO 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-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 PDE10A 784/4885POLB 3862/4885MEN1 4753/4885
US-20140051682-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 PDE10A 784/4885POLB 3862/4885MEN1 4753/4885
US-20140221351-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 PDE10A 784/4885POLB 3862/4885MEN1 4753/4885

“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.