SCHEMBL16632512

SCHEMBL16632512

COc1ccccc1Oc1cc(Cl)cc(I)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
DHPS P49366 7/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TTR P02766 1/20 0.40
RAB9A P51151 1/20 0.39
APP P05067 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38

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
SCHEMBL14861474 0.85 SLC6A4 (0.43) HTTALDH1A1TTRSLC6A2SLC6A4
SCHEMBL14861126 0.81 MAPT (0.43) HTTALDH1A1MAPK1DHPSKMT2A
SCHEMBL16632487 0.80 ALDH1A1 (0.53) HTTL3MBTL1ALDH1A1MAPK1CA12
SCHEMBL14861079 0.76 HTT (0.48) HTTALDH1A1MAPK1KMT2AMEN1
SCHEMBL27540242 0.76 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA7
SCHEMBL4314680 0.74 HTT (0.79) HTTL3MBTL1ALDH1A1MAPK1CA12
SCHEMBL16632695 0.74 L3MBTL1 (0.51) HTTL3MBTL1ALDH1A1MAPK1KMT2A
SCHEMBL3627857 0.71 HTT (1.00) HTTL3MBTL1ALDH1A1MAPK1CA12
SCHEMBL16632573 0.71 FDPS (0.43) HTTL3MBTL1ALDH1A1MAPK1KMT2A
SCHEMBL16632996 0.71 FDPS (0.43) HTTL3MBTL1ALDH1A1MAPK1KMT2A

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 6 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-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
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
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
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 HTT 3784/4885L3MBTL1 879/4885ALDH1A1 1200/4885

“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.