SCHEMBL6476531

SCHEMBL6476531

CNC(=O)c1cc([N+](=O)[O-])nn1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.42
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
PHGDH O43175 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL2119388 0.81 KDM4E (0.50) LMNAMEN1KMT2AMAPTGAA
SCHEMBL611620 0.81 CA12 (0.41) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL21960887 0.80 BRD4 (0.43) LMNAMEN1KMT2AMAPTGAA
SCHEMBL17796618 0.80 BRD4 (0.40) LMNAMEN1KMT2AMAPTGAA
SCHEMBL3058408 0.80 HTT (0.38) LMNAMEN1KMT2AMAPTGAA
SCHEMBL21964597 0.77 MEN1 (0.39) LMNAMEN1KMT2AMAPTGAA
SCHEMBL21960852 0.76 GABRA5 (0.46) MEN1KMT2AHTTALDH1A1
Hydrochloric Acid SCHEMBL28959660 0.74 PRSS1 (0.37) LMNAMEN1KMT2AMAPTGAA
SCHEMBL8568508 0.74 SMN1; SMN2 (0.56) BAZ2BLMNAMEN1KMT2AGAA
SCHEMBL18029670 0.74 LMNA (0.46) LMNAMEN1KMT2AMAPTHTT

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
WO-2022053010-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-03-17 WO disclosed
EP-3860976-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2021-08-11 EP disclosed
WO-2020070331-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2020-04-09 WO disclosed
WO-2018185236-A1 PZRAYOLE DERIVATIVES USED AS INVERSE AGONISTS OF THE ROR GAMMA (T) RETINOID-RELATED ORPHAN GAMMA RECEPTOR GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-10-11 WO disclosed
US-6878709-B2 3,4-di-substituted pyridazinediones as CXC chemokine receptor antagonists SCHERING CORPORATION (US) 2005-04-12 US disclosed
US-20040063709-A1 3,4-di-substituted pyridazinediones as CXC chemokine receptor antagonists SCHERING CORPORATION 2004-04-01 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 (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-20040063709-A1 3,4-di-substituted pyridazinediones as CXC chemokine receptor antagonists CXCR1, CCR1, ACKR3 BAZ2B 1081/4885LMNA 4634/4885MEN1 3342/4885

“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.