SCHEMBL16632650

SCHEMBL16632650

N#Cc1cc2c(Oc3ccccc3OCc3ccccc3)cc(Cl)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 9/20 0.45
SLC6A4 P31645 2/20 0.42
SRD5A2 P31213 1/20 0.40
PLAU P00749 1/20 0.40
SCN9A Q15858 1/20 0.39
NSD2 O96028 1/20 0.38
AS3MT Q9HBK9 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38

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
SCHEMBL16632497 0.86 SRD5A2 (0.40) SRD5A2NSD2AS3MTSGMS2
SCHEMBL16632405 0.86 SRD5A2 (0.52) SRD5A2SCN9ANSD2AS3MT
SCHEMBL16634433 0.81 RHEB (0.70) RHEBSLC6A4SRD5A2PLAU
SCHEMBL9593980 0.80 SRD5A2 (0.60) SRD5A2NSD2AS3MT
SCHEMBL16632563 0.80 RHEB (0.45) RHEBSLC6A4SRD5A2PLAU
SCHEMBL16632427 0.76 SRD5A2 (0.53) RHEBSRD5A2
SCHEMBL16632334 0.76 L3MBTL1 (0.45) RHEB
SCHEMBL23709592 0.71 RHEB (0.81) RHEBSLC6A4SRD5A2PLAU
SCHEMBL5538708 0.69 MAPT (0.63)
SCHEMBL18865570 0.67 PLAU (0.54) SLC6A4PLAUSGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR RHEB 2503/4885SLC6A4 4266/4885SRD5A2 1884/4885

“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.