SCHEMBL16632331

SCHEMBL16632331

COc1cc(Cl)ccc1Oc1cccc2cc(C#N)ccc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.58
AR P10275 4/20 0.53
SLC6A2 P23975 4/20 0.47
SLC6A3 Q01959 3/20 0.47
KCNH2 Q12809 2/20 0.47
HPGDS O60760 1/20 0.44
NCEH1 Q6PIU2 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP19A1 P11511 1/20 0.40
ACHE P22303 1/20 0.40
ESRRA P11474 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
SLC22A12 Q96S37 2/20 0.39
TTR P02766 1/20 0.39

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
SCHEMBL16632458 0.87 SLC6A4 (0.60) SLC6A4ARSLC6A2SLC6A3KCNH2
SCHEMBL16632624 0.87 AR (0.57) SLC6A4ARSLC6A2SLC6A3HPGDS
SCHEMBL16640617 0.86 AR (0.59) SLC6A4ARSLC6A2HPGDSNCEH1
SCHEMBL16632568 0.86 AR (0.54) SLC6A4ARHPGDSCA1CA2
SCHEMBL16632541 0.84 SLC6A4 (0.57) SLC6A4ARSLC6A2SLC6A3KCNH2
SCHEMBL16632470 0.84 TTR (0.47) SLC6A4ARSLC6A2SLC6A3KCNH2
SCHEMBL6100395 0.82 HPGDS (0.56) SLC6A4ARSLC6A2SLC6A3HPGDS
SCHEMBL16632419 0.82 AR (0.52) SLC6A4ARSLC6A2SLC6A3KCNH2
SCHEMBL16632539 0.81 SLC6A4 (0.50) SLC6A4ARSLC6A2SLC6A3KCNH2
SCHEMBL16632535 0.80 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3KCNH2CA1

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 3070/4885SLC6A2 3227/4885

“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.