SCHEMBL16632394

SCHEMBL16632394

COc1cc(Cl)ccc1Oc1cc(Cl)cn2cc(C#N)cc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.53
SLC6A2 P23975 9/20 0.42
SLC6A3 Q01959 7/20 0.42
KCNH2 Q12809 2/20 0.42
AR P10275 3/20 0.42
TTR P02766 2/20 0.39
SLC22A12 Q96S37 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ESRRA P11474 1/20 0.35

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
SCHEMBL16632481 0.90 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2AR
SCHEMBL16632585 0.90 AR (0.45) SLC6A4SLC6A2SLC6A3KCNH2AR
SCHEMBL16632744 0.86 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3KCNH2AR
SCHEMBL16632281 0.85 TTR (0.47) SLC6A4SLC6A2SLC6A3KCNH2AR
SCHEMBL16632599 0.80 AR (0.45) SLC6A4ARKDM4ETSHRSMN1; SMN2
SCHEMBL16632457 0.77 AR (0.36) SLC6A4SLC6A2SLC6A3ARTTR
SCHEMBL16632736 0.77 GRM5 (0.35) SLC6A4SLC6A2SLC6A3ARTTR
SCHEMBL16632389 0.77 AR (0.45) SLC6A4ARSLC22A12
SCHEMBL16632640 0.75 AR (0.49) SLC6A4SLC6A2SLC6A3ARKDM4E
SCHEMBL16632341 0.74 AR (0.45) ARSLC22A12KDM4EALDH1A1MAPT

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 4266/4885SLC6A2 3227/4885SLC6A3 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.