SCHEMBL20909473

SCHEMBL20909473

CNC(=O)c1ccc(OC)c(OCc2ccccc2)c1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.81
HDAC1 Q13547 2/20 0.81
HDAC8 Q9BY41 2/20 0.81
HDAC6 Q9UBN7 2/20 0.81
BRD4 O60885 1/20 0.67
KDM4E B2RXH2 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
HPGD P15428 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
RXRA P19793 1/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 1/20 0.58
CASP3 P42574 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
LMNA P02545 1/20 0.57
ATM Q13315 1/20 0.57

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
SCHEMBL24077087 0.95 SMPD1 (0.72) SMPD1HDAC1HDAC8HDAC6BRD4
SCHEMBL28591307 0.89 SMPD1 (1.00) SMPD1HDAC1HDAC8HDAC6KDM4E
SCHEMBL6584177 0.89 SMPD1 (0.81) SMPD1HDAC1HDAC8HDAC6KDM4E
SCHEMBL6440137 0.88 BRD4 (0.70) SMPD1HDAC1HDAC8HDAC6BRD4
SCHEMBL2188210 0.86 SMPD1 (0.76) SMPD1HDAC1HDAC8HDAC6KDM4E
SCHEMBL1029034 0.86 SMPD1 (0.75) SMPD1HDAC1HDAC8HDAC6KDM4E
SCHEMBL29375753 0.86 SMPD1 (0.75) SMPD1HDAC1HDAC8HDAC6KDM4E
SCHEMBL28033750 0.85 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6BRD4
SCHEMBL11271923 0.85 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6KDM4E
SCHEMBL9236564 0.85 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT SMPD1 1907/4885HDAC1 960/4885HDAC8 1976/4885

“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.