SCHEMBL4826271

SCHEMBL4826271

Cc1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 5/20 0.42
CTSB P07858 1/20 0.41
CTSH P09668 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CFTR P13569 1/20 0.38
TXNRD1 Q16881 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.36
MERTK Q12866 1/20 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
SCHEMBL29391783 0.82 TXNRD1 (0.38) S1PR4CNR2ALDH1A1CFTRTXNRD1
SCHEMBL17490468 0.82 MERTK (0.51) S1PR4CNR2ALDH1A1CFTRTXNRD1
SCHEMBL24251675 0.82 TXNRD1 (0.38) S1PR4CNR2ALDH1A1CFTRTXNRD1
SCHEMBL15716302 0.78 NPC1 (0.46) S1PR4CTSBCTSHALDH1A1NPC1
SCHEMBL22595337 0.77 CNR2 (0.39) S1PR4CNR2ALDH1A1CFTRTXNRD1
SCHEMBL24992474 0.77 HCRTR1 (0.40) CNR2CFTRTXNRD1
SCHEMBL20278129 0.77 CTSB (0.44) CTSBCTSHALDH1A1NPC1RAB9A
SCHEMBL20278131 0.77 APP (0.46) S1PR4CTSBCTSHALDH1A1NPC1
SCHEMBL18952487 0.77 S1PR4 (0.62) S1PR4ALDH1A1NPC1RAB9ALMNA
SCHEMBL23977890 0.76 CNR2 (0.50) CNR2ALDH1A1LMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034110-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. 2025-01-30 US disclosed
EP-4380560-A1 LPAR1 ANTAGONISTS AND USES THEREOF Contineum Therapeutics, Inc. (US) 2024-06-12 EP disclosed
CN-118043041-A LPAR1 antagonists and uses thereof 康蒂内乌姆医疗公司 2024-05-14 CN disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
CN-102702171-B Process for producing acid adduct salt of polyacidic base compound KOWA CO 2014-09-10 CN disclosed
EP-1627875-B1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF KOWA CO (JP) 2013-07-31 EP disclosed
US-7459552-B2 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2008-12-02 US disclosed
US-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2006-12-28 US disclosed
CN-1816542-A 2, 4-bis (trifluoroethoxy) pyridine compound and medicine containing the same KOWA CO (JP) 2006-08-09 CN disclosed
EP-1627875-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF Kowa Co., Ltd. (JP) 2006-02-22 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 (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-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof NNT, APRT, SAT1 S1PR4 1248/4885CTSB 3675/4885CTSH 3914/4885
US-20250034110-A1 LPAR1 ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR3 S1PR4 41/4885CTSB 1216/4885CTSH 871/4885

“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.