SCHEMBL6294696

SCHEMBL6294696

Cc1ccc(N)c(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.55
ALDH1A1 P00352 3/20 0.47
CYP2A6 P11509 1/20 0.47
SLC6A4 P31645 1/20 0.42
GAA P10253 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
TBXA2R P21731 2/20 0.40
SCN9A Q15858 1/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MERTK Q12866 1/20 0.40

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
SCHEMBL6300550 0.88 AR (0.50) ARALDH1A1CYP2A6SLC6A4GAA
SCHEMBL860477 0.85 PARP15 (0.49) ARALDH1A1SLC6A4GAAPARP15
SCHEMBL10999189 0.84 TEAD4 (0.54) ARALDH1A1GAACYP3A4TEAD4
SCHEMBL922684 0.83 AR (0.58) ARALDH1A1CYP2A6SLC6A4GAA
SCHEMBL6295004 0.81 AR (0.55) ARALDH1A1CYP2A6SLC6A4PARP15
SCHEMBL17052857 0.81 AR (0.55) ARALDH1A1CYP2A6SLC6A4TBXA2R
SCHEMBL5606511 0.81 AR (0.82) ARALDH1A1CYP2A6SLC6A4GAA
SCHEMBL18615345 0.81 AR (0.55) ARALDH1A1CYP2A6SLC6A4GAA
SCHEMBL922953 0.80 AR (0.62) ARALDH1A1CYP2A6SLC6A4GAA
SCHEMBL643527 0.78 MAPT (0.56) ALDH1A1SLC6A4GAACYP3A4TEAD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed
US-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-25 US disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 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 (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-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them F2, SERPINC1, F12 AR 146/4885ALDH1A1 1785/4885CYP2A6 149/4885

“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.