SCHEMBL2553913

SCHEMBL2553913

Cc1cccc(C=CC=O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
GRM5 P41594 1/20 0.56
GRM4 Q14833 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL2553909 1.00 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1GRM5GRM4
SCHEMBL4712658 0.83 RAB9A (0.76) ALDH1A1RAB9ANPC1GRM5GRM4
SCHEMBL710474 0.81 RAB9A (0.58) ALDH1A1RAB9ANPC1GRM5GRM4
SCHEMBL710475 0.81 RAB9A (0.58) ALDH1A1RAB9ANPC1GRM5GRM4
SCHEMBL9797858 0.80 RAB9A (0.56) ALDH1A1RAB9ANPC1GRM5GRM4
SCHEMBL9797862 0.80 RAB9A (0.56) ALDH1A1RAB9ANPC1GRM5GRM4
SCHEMBL230251 0.79
SCHEMBL29951696 0.79
SCHEMBL20083328 0.77 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1GRM5GRM4
SCHEMBL28279453 0.77 ALDH1A1 (0.52) ALDH1A1RAB9ANPC1GRM5GRM4

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
WO-2023193760-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2023-10-12 WO disclosed
EP-2558465-B1 TRICYCLIC PYRIDYL-VINYL-PYROLES AS PAR1 INHIBITORS SANOFI SA (FR) 2014-12-17 EP disclosed
US-8871798-B2 Tricyclic pyridyl-vinyl pyrroles as PAR1 inhibitors SANOFI (FR) 2014-10-28 US disclosed
EP-2558462-B1 Pyridyl-vinyl-pyrazolo-chinolines as PAR1 inhibitors SANOFI SA (FR) 2014-10-22 EP disclosed
US-8791133-B2 Pyridylvinylpyrazoloquinolines as PAR1 inhibitors SANOFI (FR) 2014-07-29 US disclosed
EP-2558465-A1 TRICYCLIC PYRIDYL-VINYL PYRROLES AS PAR1 INHIBITORS SANOFI (FR) 2013-02-20 EP disclosed
EP-2558462-A1 PYRIDYL-VINYL PYRAZOLOQUINOLINES AS PAR1 INHIBITORS SANOFI (FR) 2013-02-20 EP disclosed
US-20130040943-A1 TRICYCLIC PYRIDYL-VINYL PYRROLES AS PAR1 INHIBITORS SANOFI (FR) 2013-02-14 US disclosed
US-20130040981-A1 Pyridylvinylpyrazoloquinolines as PAR1 inhibitors SANOFI (FR) 2013-02-14 US disclosed
WO-2011128420-A1 PYRIDYL-VINYL PYRAZOLOQUINOLINES AS PAR1 INHIBITORS SANOFI (FR) 2011-10-20 WO disclosed
WO-2011128421-A1 TRICYCLIC PYRIDYL-VINYL PYRROLES AS PAR1 INHIBITORS SANOFI (FR) 2011-10-20 WO 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-20130040981-A1 Pyridylvinylpyrazoloquinolines as PAR1 inhibitors F2R, F2RL1, F2RL3 ALDH1A1 1434/4885RAB9A 2276/4885NPC1 2227/4885
US-20130040943-A1 TRICYCLIC PYRIDYL-VINYL PYRROLES AS PAR1 INHIBITORS F2R, F2RL1, F2RL3 ALDH1A1 1775/4885RAB9A 2325/4885NPC1 3649/4885

“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.