SCHEMBL6076959

SCHEMBL6076959

CSc1cc(F)ccc1CC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ICMT O60725 8/20 0.43
DDR1 Q08345 1/20 0.42
MPO P05164 2/20 0.38
SLC6A4 P31645 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.37
AGBL2 Q5U5Z8 1/20 0.36
LMNA P02545 1/20 0.35
MAPK8 P45983 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
SCHEMBL17689059 0.78 DDR1 (0.39) DDR1MPOSLC6A4MEN1MAPT
SCHEMBL14495394 0.77 P2RX7 (0.47) ICMTMPOSLC6A4
SCHEMBL1115269 0.77 MAPK8 (0.52) ICMTMPOSLC6A4MAPK8
SCHEMBL30148003 0.77 MAPK8 (0.52) ICMTMPOSLC6A4MAPK8
SCHEMBL28037697 0.77 CA3 (0.45) ICMTMPOSLC6A4MEN1MAPT
SCHEMBL2526394 0.77 MPO (0.41) DDR1MPOSLC6A4
SCHEMBL1569021 0.75 LMNA (0.47) SLC6A4MEN1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL8894497 0.75 IDO1 (0.52) ICMTMPOSLC6A4MAPK8
SCHEMBL28148702 0.75 ICMT (0.47) ICMTMPOSLC6A4MAPK8
SCHEMBL4068010 0.74 CES2 (0.42) MEN1MAPTRAB9AKMT2APARP1

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-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF ICMT 1397/4885DDR1 3524/4885MPO 3223/4885

“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.