SCHEMBL16640620

SCHEMBL16640620

N#C/C=C/c1cc(Cl)cc(Oc2ccccc2O)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
EPAS1 Q99814 8/20 0.35
ENPP2 Q13822 1/20 0.35
LMNA P02545 1/20 0.34
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
VEGFA P15692 1/20 0.34
STK39 Q9UEW8 1/20 0.33
TERT O14746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL17883372 1.00 AR (0.40) AREPAS1ENPP2LMNAABL1
SCHEMBL16632996 0.84 FDPS (0.43) ARMAPT
SCHEMBL16632573 0.84 FDPS (0.43) ARMAPT
SCHEMBL16632574 0.84 FDPS (0.43) ARMAPT
SCHEMBL14871837 0.81 EPAS1 (0.34) EPAS1ABL1ABCB1BCRSTK39
SCHEMBL16116691 0.81 TTR (0.36) EPAS1LMNAMAPT
SCHEMBL11663615 0.78 CA1 (0.43) AREPAS1LMNASTK39MAPT
SCHEMBL14871840 0.75 FDPS (0.45) AREPAS1LMNAMAPT
SCHEMBL14861171 0.71 FDPS (0.43) AREPAS1LMNAMAPT
SCHEMBL14861173 0.71 FDPS (0.43) AREPAS1LMNAMAPT

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 5 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

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 3070/4885EPAS1 4199/4885ENPP2 2902/4885

“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.