SCHEMBL3336240

SCHEMBL3336240

CCOC(=O)c1cc(O)c2cc(F)c(F)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
PTPN11 Q06124 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL2905641 0.84 LCK (0.41) ALDH1A1KDM4EHPGDPTPN11MAPT
SCHEMBL3330035 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP1A2NR1H2NR1H3
SCHEMBL3332188 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL29568814 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP1A2TSHRKDM4E
SCHEMBL22718909 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP1A2TSHRKDM4E
SCHEMBL30002312 0.78 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL1733527 0.78 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL3328767 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP1A2KMT2AKDM4E
SCHEMBL31167429 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP1A2KMT2AKDM4E
SCHEMBL9998041 0.78 KDM4E (0.52) ALDH1A1SMN1; SMN2CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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 (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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 ALDH1A1 2297/4885SMN1; SMN2 4406/4885CYP1A2 1343/4885

“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.