SCHEMBL16632744

SCHEMBL16632744

COc1cc(Cl)ccc1Oc1cccn2cc(C#N)cc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.50
SLC6A2 P23975 9/20 0.45
SLC6A3 Q01959 7/20 0.45
KCNH2 Q12809 2/20 0.45
AR P10275 4/20 0.45
SLC22A12 Q96S37 2/20 0.38
TTR P02766 2/20 0.37
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL16632488 0.87 AR (0.48) ARKDM4ELMNATSHRRECQL
SCHEMBL16632728 0.87 AR (0.46) SLC6A4ARSLC22A12KDM4ELMNA
SCHEMBL16632394 0.86 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KCNH2AR
SCHEMBL16632433 0.84 TTR (0.44) SLC6A4SLC6A2SLC6A3KCNH2AR
SCHEMBL16632561 0.83 AR (0.41) SLC6A4ARSLC22A12KDM4ELMNA
SCHEMBL16632347 0.82 GRM5 (0.41) ARSLC22A12KDM4ELMNATSHR
SCHEMBL16632585 0.81 AR (0.45) SLC6A4SLC6A2SLC6A3KCNH2AR
SCHEMBL16632481 0.80 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2AR
SCHEMBL16632647 0.76 L3MBTL1 (0.47) SLC6A4LMNA
SCHEMBL16632447 0.75 AR (0.39) ARSLC22A12LMNATSHR

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.