SCHEMBL25792164

SCHEMBL25792164

CCn1cc(C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.43
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
PAX8 Q06710 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 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
SCHEMBL30320437 1.00 PTGS2 (0.43) PTGS2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL30320358 0.84 LMNA (0.42) PTGS2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL25792163 0.84 LMNA (0.42) PTGS2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL25791924 0.81 APOBEC3G (0.46) PTGS2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL25298735 0.74 USP1 (0.39) PTGS2PTGS1
SCHEMBL30320444 0.72 NPBWR1 (0.46) PTGS2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL25792167 0.72 NPBWR1 (0.46) PTGS2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL30320408 0.69 USP1 (0.44) PTGS2MEN1KMT2AATMPTGS1
SCHEMBL25791872 0.69 USP1 (0.44) PTGS2MEN1KMT2AATMPTGS1
SCHEMBL11050883 0.69 PTPRC (0.57) ALDH1A1MEN1KMT2ARAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
EP-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 EP 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-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, USP8, USP7 PTGS2 4515/4885ALDH1A1 2350/4885MEN1 2408/4885

“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.