SCHEMBL5655435

SCHEMBL5655435

CCCCCn1ccnc1CO

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.59
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
TBXAS1 P24557 1/20 0.37
KCNH2 Q12809 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AMPD1 P23109 2/20 0.36
HTT P42858 2/20 0.36
AMPD2 Q01433 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5655366 0.95 ALDH1A1 (0.59) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL5656069 0.87 ALDH1A1 (0.44) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL4227901 0.85 TLR8 (0.68) TLR8ALDH1A1POLBKMT2ATBXAS1
SCHEMBL5807549 0.85 TLR8 (0.54) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL11531858 0.84 TLR8 (0.66) TLR8ALDH1A1POLBKMT2ATBXAS1
SCHEMBL4230750 0.84 TLR8 (0.66) TLR8ALDH1A1POLBKMT2ATBXAS1
SCHEMBL4360801 0.84 TLR8 (0.61) TLR8ALDH1A1POLBKMT2AAGTR1
SCHEMBL6889380 0.84 TLR8 (0.66) TLR8ALDH1A1POLBKMT2ATBXAS1
SCHEMBL1879407 0.84 TLR8 (0.66) TLR8ALDH1A1POLBKMT2ATBXAS1
SCHEMBL4364563 0.84 TLR8 (0.61) TLR8ALDH1A1POLBKMT2AAGTR1

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-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 TLR8 4213/4885ALDH1A1 519/4885POLB 3578/4885

“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.