SCHEMBL5344128

SCHEMBL5344128

CCO/C(Cc1ccccc1C(F)(F)F)=N/C#N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
IDO1 P14902 2/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
EPHX2 P34913 6/20 0.38
PPARG P37231 4/20 0.38
AR P10275 1/20 0.36

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
SCHEMBL5344132 1.00 POLQ (0.43) POLQKDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL2827522 0.82 ALDH1A1 (0.40) KDM4EALDH1A1IDO1MAOB
SCHEMBL2827524 0.82 ALDH1A1 (0.40) KDM4EALDH1A1IDO1MAOB
SCHEMBL5342416 0.81 CTBP2 (0.40) KDM4EALDH1A1MAOB
SCHEMBL5342412 0.81 CTBP2 (0.40) KDM4EALDH1A1MAOB
SCHEMBL5352600 0.79 ALDH1A1 (0.40) KDM4EALDH1A1MAOBMAOA
SCHEMBL5352596 0.79 ALDH1A1 (0.40) KDM4EALDH1A1MAOBMAOA
SCHEMBL29195791 0.78 POLQ (0.49) POLQKDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL5337175 0.74 FFAR1 (0.38) KDM4EALDH1A1
SCHEMBL5337171 0.74 FFAR1 (0.38) KDM4EALDH1A1

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-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain CARROLL WILLIAM A 2007-10-04 US disclosed
US-7241776-B2 Cyanoamidine P2X7 antagonists for the treatment of pain ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain ABBVIE INC. 2006-02-02 US 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-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain P2RX2, P2RX1, P2RX7 POLQ 4344/4885KDM4E 3687/4885ALDH1A1 3848/4885
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain P2RX2, P2RX1, P2RX7 POLQ 4344/4885KDM4E 3687/4885ALDH1A1 3848/4885

“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.