SCHEMBL16632585

SCHEMBL16632585

COc1ccccc1Oc1cc(Cl)cn2cc(C#N)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.45
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM5 P41594 4/20 0.38
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL16632394 0.90 SLC6A4 (0.53) ARSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL16632481 0.88 SLC6A4 (0.44) ARSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL16632640 0.86 AR (0.49) ARSLC6A4SLC6A2SLC6A3SMN1; SMN2
SCHEMBL16632341 0.85 AR (0.45) ARSMN1; SMN2LMNATSHRKDM4E
SCHEMBL16632457 0.85 AR (0.36) ARSLC6A4SLC6A2SLC6A3LMNA
SCHEMBL16632488 0.83 AR (0.48) ARSMN1; SMN2LMNATSHRKDM4E
SCHEMBL16632744 0.81 SLC6A4 (0.50) ARSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL16632281 0.77 TTR (0.47) ARSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL16632599 0.77 AR (0.45) ARSLC6A4SMN1; SMN2LMNATSHR
SCHEMBL16632736 0.77 GRM5 (0.35) ARSLC6A4SLC6A2SLC6A3LMNA

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 4266/4885SLC6A2 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.