SCHEMBL3218043

SCHEMBL3218043

Cc1ccnc([N+](=O)[O-])c1N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.50
NOS2 P35228 3/20 0.50
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 3/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ESR2 Q92731 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8567050 0.81 ROCK1 (0.34) ALDH1A1TDP1HTTPOLBMAPT
SCHEMBL8141010 0.80 HTT (0.37) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL8895433 0.80 TSHR (0.44) NOS3NOS2ALDH1A1TDP1TSHR
Ammonia Solution, Strong SCHEMBL28936176 0.78 TSHR (0.42) NOS3NOS2ALDH1A1TDP1TSHR
SCHEMBL8564386 0.78 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1TSHRRECQL
SCHEMBL3709618 0.77 GAA (0.39) ALDH1A1CYP3A4TDP1RECQLHTT
SCHEMBL31347163 0.77 ALDH1A1 (0.43) ALDH1A1TDP1RECQLHTTPOLB
SCHEMBL8385465 0.77 CYP3A4 (0.40) NOS3NOS2ALDH1A1CYP3A4TDP1
SCHEMBL18474451 0.77 ALDH1A1 (0.39) ALDH1A1CYP3A4TDP1HTTMAPT
SCHEMBL28192442 0.77 CYP1A2 (0.39) ALDH1A1CYP3A4TDP1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568951-A1 HETEROCYCLIC AMIDE AND UREA COMPOUNDS AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2025-06-18 EP disclosed
WO-2024035627-A1 HETEROCYCLIC AMIDE AND UREA COMPOUNDS AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2024-02-15 WO disclosed
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
EP-2125806-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES Pfizer Products Inc. (US) 2009-12-02 EP disclosed
WO-2008084303-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2008-07-17 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 (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-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES AGTR2, AGTR1, AGT NOS3 2000/4885NOS2 1246/4885ALDH1A1 1739/4885

“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.