SCHEMBL25791997

SCHEMBL25791997

CC(C)n1cc([N+](=O)[O-])nc1Br

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
SOS1 Q07889 1/20 0.34
MITF O75030 1/20 0.33
PKM P14618 2/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
FLT3 P36888 1/20 0.30

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
SCHEMBL25791560 0.76 ALDH1A1 (0.39) ALDH1A1SOS1MITFPKMPOLB
SCHEMBL3282371 0.76 ALDH1A1 (0.44) ALDH1A1SOS1MITFPKMPOLB
SCHEMBL31437774 0.75 ALDH1A1 (0.49) ALDH1A1SOS1MITFPKMPOLB
SCHEMBL30576258 0.72 ALDH1A1 (0.46) ALDH1A1SOS1MITFPKMPOLB
SCHEMBL27890859 0.72 ALDH1A1 (0.41) ALDH1A1SOS1MITFPKMPOLB
SCHEMBL1258919 0.71 ALDH1A1 (0.32) ALDH1A1MITF
SCHEMBL25251603 0.70 SOS1 (0.40) ALDH1A1SOS1MITFPKMPOLB
SCHEMBL27890897 0.68 ALDH1A1 (0.41) ALDH1A1SOS1MITFPKMPOLB
SCHEMBL58070 0.68 ALDH1A1 (0.49) ALDH1A1SOS1MITFPKMPOLB
SCHEMBL25791994 0.67 PKM (0.40) ALDH1A1SOS1MITFPKMPOLB

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 2 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
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 ALDH1A1 2350/4885SOS1 1084/4885MITF 3026/4885

“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.