SCHEMBL16632458

SCHEMBL16632458

COc1cc(Cl)ccc1Oc1cc(Cl)cc2cc(C#N)ccc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.60
AR P10275 4/20 0.49
SLC6A3 Q01959 5/20 0.44
KCNH2 Q12809 2/20 0.44
SLC6A2 P23975 6/20 0.43
ESRRA P11474 1/20 0.40
TTR P02766 2/20 0.40
NCEH1 Q6PIU2 1/20 0.40
IDH1 O75874 1/20 0.40
PDE5A O76074 2/20 0.39
CNR1 P21554 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
SCHEMBL16632541 0.91 SLC6A4 (0.57) SLC6A4ARSLC6A3KCNH2SLC6A2
SCHEMBL16632539 0.90 SLC6A4 (0.50) SLC6A4ARSLC6A3KCNH2SLC6A2
SCHEMBL16632419 0.90 AR (0.52) SLC6A4ARSLC6A3KCNH2SLC6A2
SCHEMBL16632331 0.87 SLC6A4 (0.58) SLC6A4ARSLC6A3KCNH2SLC6A2
SCHEMBL16632982 0.84 TTR (0.48) SLC6A4ARSLC6A3KCNH2SLC6A2
SCHEMBL14861212 0.81 SLC6A4 (0.66) SLC6A4ARSLC6A3KCNH2SLC6A2
SCHEMBL14863141 0.81 SLC6A4 (0.66) SLC6A4ARSLC6A3KCNH2SLC6A2
SCHEMBL16632675 0.80 AR (0.53) SLC6A4AR
SCHEMBL365516 0.80 SLC6A4 (0.64) SLC6A4ARSLC6A3KCNH2SLC6A2
SCHEMBL3365226 0.79 SLC6A4 (0.64) SLC6A4ARSLC6A3KCNH2SLC6A2

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 SLC6A4 4266/4885AR 3070/4885SLC6A3 3639/4885

“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.