SCHEMBL6300550

SCHEMBL6300550

Cc1ccc(N)c(Oc2ccc3cc(C#N)ccc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.50
GAA P10253 2/20 0.43
RCE1 Q9Y256 1/20 0.43
ALDH1A1 P00352 2/20 0.41
PDE4B Q07343 1/20 0.40
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP2A6 P11509 1/20 0.38
HTR2A P28223 2/20 0.38
KCNH2 Q12809 2/20 0.38
TBXA2R P21731 2/20 0.37

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
SCHEMBL6294696 0.88 AR (0.55) ARGAAALDH1A1SLC6A4CYP2A6
SCHEMBL6294693 0.83 AR (0.50) ARALDH1A1PDE4BSLC6A4SLC6A2
SCHEMBL6295751 0.78 MERTK (0.52) ARALDH1A1TBXA2R
SCHEMBL860477 0.77 PARP15 (0.49) ARGAARCE1ALDH1A1PDE4B
SCHEMBL10999189 0.76 TEAD4 (0.54) ARGAARCE1ALDH1A1
SCHEMBL806471 0.76 CYP2A6 (0.59) ARALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL1104942 0.72 CYP2A6 (0.54) ARALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL922684 0.72 AR (0.58) ARGAAALDH1A1SLC6A4SLC6A2
SCHEMBL5583654 0.71 TEAD4 (0.57) ARGAARCE1ALDH1A1
SCHEMBL18852193 0.71 CYP2A6 (0.52) ARGAAALDH1A1CYP2A6

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 146/4885GAA 4143/4885RCE1 858/4885

“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.