SCHEMBL23404192

SCHEMBL23404192

CC(C)Cn1ncc([N+](=O)[O-])n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.39
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 2/20 0.32
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHRM1 P11229 1/20 0.31
ACHE P22303 1/20 0.30
MEN1 O00255 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
SCHEMBL2891807 0.80 ALDH1A1 (0.43) TOP2AMAPK1ALDH1A1LMNAMAPT
SCHEMBL9827267 0.78 CHRM1 (0.48) MAPK1ATMALDH1A1LMNAPKM
SCHEMBL9827647 0.77 KMT2A (0.35) MAPK1ATMALDH1A1LMNAPKM
SCHEMBL9828886 0.72 KMT2A (0.45) ATMALDH1A1PKMMAPTCYP2C19
SCHEMBL30990338 0.71 ALDH1A1 (0.40) ALDH1A1LMNAMAPTKMT2AKDM4E
SCHEMBL10735210 0.71 ALDH1A1 (0.34) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL2323672 0.70 LMNA (0.35) MAPK1ATMALDH1A1LMNAPKM
SCHEMBL10564664 0.70 ALDH1A1 (0.34) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL28988152 0.70 ERN1 (0.33) PKM
SCHEMBL28693016 0.70

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
CN-111712492-B Cyclotriazoles as LPA antagonists 百时美施贵宝公司 2024-05-31 CN disclosed
EP-3728224-B1 CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-01-11 EP disclosed
US-11319315-B2 Cyclohexyl acid triazole azoles as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-03 US disclosed
US-20210163470-A1 CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
CN-111712492-A Cyclohexaneacetic acid triazolazoles as LPA antagonists 百时美施贵宝公司 2020-09-25 CN 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 (2 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-11319315-B2 Cyclohexyl acid triazole azoles as LPA antagonists LPAR3, LPAR1, LPAR2 TOP2A 2949/4885MAPK1 341/4885ATM 2913/4885
US-20210163470-A1 CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 TOP2A 2949/4885MAPK1 341/4885ATM 2913/4885

“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.