SCHEMBL25792167

SCHEMBL25792167

O=[N+]([O-])c1ccc(-c2nc(C(F)(F)F)c[nH]2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
AMY1A P0DUB6 3/20 0.39
MAPT P10636 1/20 0.37
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
PTPRC P08575 1/20 0.36
S100A4 P26447 1/20 0.36
POLB P06746 1/20 0.35
PTGS2 P35354 1/20 0.35
NAMPT P43490 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
SCHEMBL30320444 1.00 NPBWR1 (0.46) NPBWR1MEN1KMT2ANPC1RAB9A
SCHEMBL25290270 0.78 ABCC8 (0.46) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL27031604 0.74 EGLN2 (0.37) LMNAKIF11
SCHEMBL29879067 0.74 EGLN2 (0.37) LMNAKIF11
SCHEMBL31625181 0.74 LOXL2 (0.41) NPBWR1
SCHEMBL2060891 0.73 GUSB (0.46) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL8822128 0.72 AMY1A (0.46) NPBWR1NPC1RAB9AALDH1A1GLA
SCHEMBL11050883 0.72 PTPRC (0.57) NPBWR1MEN1KMT2ARAB9AALDH1A1
SCHEMBL31409842 0.72 NOTUM (0.53) ALDH1A1LMNAXDH
SCHEMBL29194231 0.72 NOTUM (0.53) ALDH1A1LMNAXDH

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 NPBWR1 1520/4885MEN1 2408/4885KMT2A 2613/4885

“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.