SCHEMBL2435289

SCHEMBL2435289

CN(C(=O)C(F)(F)F)c1ccc(C(=O)O)c(OCCCNC(=O)C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.38
MTNR1B P49286 9/20 0.38
NQO2 P16083 5/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
GSTO1 P78417 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
EPHX1 P07099 1/20 0.35
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL2432817 0.91 MTNR1B (0.43) MTNR1AMTNR1BRAB9A
SCHEMBL2495444 0.89 MTNR1A (0.37) MTNR1AMTNR1BNQO2ALDH1A1POLB
SCHEMBL2440414 0.87 CA14 (0.46) MTNR1AMTNR1BNQO2ALDH1A1POLB
SCHEMBL2435297 0.81 ALDH1A1 (0.36) MTNR1AMTNR1BNQO2ALDH1A1POLB
SCHEMBL2433726 0.79 ALDH1A1 (0.41) MTNR1AMTNR1BNQO2ALDH1A1POLB
SCHEMBL2440758 0.76 F10 (0.56)
SCHEMBL2434258 0.74 F10 (0.54)
SCHEMBL2436877 0.74 F10 (0.36) SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2434816 0.71 RXRA (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL20418643 0.71 ALDH1A1 (0.46) ALDH1A1MAPT

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
EP-2542529-B1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA LLC PHARMADIALL (RU) 2019-09-04 EP disclosed
US-9708265-B2 Urethanes, ureas, amidines and related inhibitors of factor Xa PHARMADIALL LIMITED LIABILITY COMPANY (RU) 2017-07-18 US disclosed
EP-2542529-A1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA Tovbin, Dmitry Gennadievich (RU) 2013-01-09 EP disclosed
US-20130005778-A1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA PHARMADIALL LIMITED LIABILITY COMPANY (RU) 2013-01-03 US disclosed
WO-2011108963-A1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA TOVBIN DMITRY GENNADIEVICH (RU) 2011-09-09 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-20130005778-A1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA PLAUR, PLAU, UTS2R MTNR1A 4418/4885MTNR1B 4530/4885NQO2 1909/4885

“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.