SCHEMBL19478604

SCHEMBL19478604

CSc1cccc2nonc12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 4/20 0.40
RECQL P46063 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 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
SCHEMBL57595 0.74 KMT2A (0.46) KMT2AMAPK1L3MBTL1MEN1TDP1
SCHEMBL762439 0.74 KMT2A (0.65) KMT2AMAPK1L3MBTL1MEN1TDP1
SCHEMBL13836388 0.73 KMT2A (0.48) KMT2AMAPK1L3MBTL1MEN1TDP1
SCHEMBL20579726 0.72 KMT2A (0.49) KMT2AMAPK1L3MBTL1MEN1TDP1
SCHEMBL8155586 0.72 MAPT (0.46) KMT2AMAPK1L3MBTL1MEN1TDP1
SCHEMBL61427 0.71 MAPT (0.48) KMT2AMAPK1L3MBTL1MEN1TDP1
SCHEMBL30630970 0.71 NQO2 (0.50) KMT2AMAPK1L3MBTL1MEN1POLB
SCHEMBL2993237 0.71 KMT2A (0.55) KMT2AMAPK1L3MBTL1MEN1POLB
SCHEMBL12774647 0.71 POLB (0.56) KMT2AMAPK1L3MBTL1MEN1POLB
SCHEMBL1820230 0.70 KMT2A (0.46) KMT2AMAPK1L3MBTL1MEN1TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298056-A1 SMALL MOLECULE INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2017-10-19 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-20170298056-A1 SMALL MOLECULE INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF CD4, CCR5, CCR1 KMT2A 4616/4885MAPK1 1216/4885L3MBTL1 395/4885

“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.