SCHEMBL16632419

SCHEMBL16632419

COc1ccccc1Oc1cc(Cl)cc2cc(C#N)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.52
SLC6A4 P31645 4/20 0.48
SLC6A3 Q01959 3/20 0.40
SLC6A2 P23975 2/20 0.40
KCNH2 Q12809 2/20 0.40
HPGDS O60760 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NCEH1 Q6PIU2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACHE P22303 1/20 0.37
PDE5A O76074 2/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36

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 0.90 SLC6A4 (0.60) ARSLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL16632539 0.88 SLC6A4 (0.50) ARSLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL16632414 0.85 AR (0.53) ARSLC6A4HPGDSSMN1; SMN2KDM4E
SCHEMBL16632406 0.84 SLC6A2 (0.50) SLC6A4SLC6A3SLC6A2KCNH2CA1
SCHEMBL16632596 0.84 AR (0.43) ARSLC6A4SLC6A3KCNH2CA1
SCHEMBL16632624 0.83 AR (0.57) ARSLC6A4SLC6A3SLC6A2HPGDS
SCHEMBL16632331 0.82 SLC6A4 (0.58) ARSLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL16632541 0.81 SLC6A4 (0.57) ARSLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL4183157 0.77 AR (0.73) ARSLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL16632675 0.77 AR (0.53) ARSLC6A4HPGDS

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 AR 3070/4885SLC6A4 4266/4885SLC6A3 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.