SCHEMBL5028604

SCHEMBL5028604

O=C[C@H](Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
ACE P12821 1/20 0.50
EPHX1 P07099 1/20 0.48
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH7 P40394 1/20 0.48
CAPN1 P07384 5/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CTSB P07858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ACP3 P15309 1/20 0.42

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
SCHEMBL24288430 1.00 SIGMAR1 (0.53) SIGMAR1ACEEPHX1ADH1BADH1C
SCHEMBL8694353 0.84 F2 (0.47) ACECAPN1
SCHEMBL12468722 0.83 SIGMAR1 (0.56) SIGMAR1ACEEPHX1CAPN1MEN1
SCHEMBL18494852 0.83 ACE (0.49) ACEEPHX1CAPN1MEN1KMT2A
SCHEMBL4314482 0.83 SIGMAR1 (0.56) SIGMAR1ACEEPHX1CAPN1MEN1
SCHEMBL29255909 0.83 SIGMAR1 (0.47) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL16944013 0.83 ACE (0.49) ACEEPHX1CAPN1MEN1KMT2A
SCHEMBL8245648 0.83 ADH1B (0.47) SIGMAR1ACEADH1BADH1CADH1A
SCHEMBL16372685 0.83 ADH1B (0.47) SIGMAR1ACEADH1BADH1CADH1A
SCHEMBL21654011 0.81 CAPN1 (0.49) SIGMAR1ACEEPHX1CAPN1MEN1

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
CN-106074591-B RNA interference in ocular symptoms 菲奥医药公司 2020-01-14 CN disclosed
US-7462608-B2 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-20050197320-A1 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. 2005-09-08 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 (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-20050197320-A1 Non nucleoside reverse transcriptase inhibitors TYMP, PNP, ITPA SIGMAR1 1593/4885ACE 241/4885EPHX1 1518/4885

“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.