SCHEMBL6665555

SCHEMBL6665555

COc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.61
FPR2 P25090 1/20 0.61
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
LTA4H P09960 5/20 0.57
CIT O14578 1/20 0.56
BACE1 P56817 2/20 0.56
ROCK2 O75116 1/20 0.55
ROCK1 Q13464 1/20 0.55
KLK7 P49862 1/20 0.55
AAK1 Q2M2I8 1/20 0.54

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
SCHEMBL30452307 1.00 KMT2A (0.65) KMT2AL3MBTL1FPR2ALDH1A1MAPT
SCHEMBL7039856 0.94 HDAC8 (0.66) KMT2AL3MBTL1FPR2ALDH1A1RAB9A
SCHEMBL28974545 0.88 GAA (0.63) KMT2AALDH1A1MAPTHDAC8LTA4H
SCHEMBL28279155 0.88 MAPT (0.66) KMT2AL3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL28279153 0.88 MAPT (0.66) KMT2AL3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL11120483 0.87 RAB9A (0.59) KMT2AL3MBTL1FPR2ALDH1A1MAPT
SCHEMBL2994486 0.87 BACE1 (0.57) KMT2ARAB9ASMN1; SMN2HDAC8LTA4H
SCHEMBL2994483 0.87 BACE1 (0.57) KMT2ARAB9ASMN1; SMN2HDAC8LTA4H
SCHEMBL21880164 0.85 RAB9A (0.67) KMT2AALDH1A1MAPTRAB9AROCK2
SCHEMBL21880165 0.85 RAB9A (0.67) KMT2AALDH1A1MAPTRAB9AROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
JP-2004182670-A METHOD FOR PRODUCING OPTICALLY ACTIVE 1-PROTECTED INDOLINE-2-CARBOXYLIC ACID DERIVATIVE AND METHOD FOR PRODUCING OPTICALLY ACTIVE INDOLINE-2-CARBOXYLIC ACID DERIVATIVE TORAY IND INC 2004-07-02 JP 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E KMT2A 3986/4885L3MBTL1 2230/4885FPR2 4717/4885

“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.