SCHEMBL4700244

SCHEMBL4700244

O=C1C2C3C=CC(C3)C2CN1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
TNKS O95271 1/20 0.40
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
RECQL P46063 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 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
SCHEMBL4700239 1.00 ALDH1A1 (0.41) ALDH1A1TDP1TNKSTSHRSMN1; SMN2
SCHEMBL4700241 1.00 ALDH1A1 (0.41) ALDH1A1TDP1TNKSTSHRSMN1; SMN2
SCHEMBL14103254 1.00 ALDH1A1 (0.41) ALDH1A1TDP1TNKSTSHRSMN1; SMN2
SCHEMBL13046376 0.80 TNKS (0.49) ALDH1A1TDP1TNKSTSHRSMN1; SMN2
SCHEMBL30209937 0.80 TNKS (0.49) ALDH1A1TDP1TNKSTSHRSMN1; SMN2
SCHEMBL30210235 0.76 TNKS (0.49) ALDH1A1TDP1TNKSTSHRSMN1; SMN2
SCHEMBL3186527 0.76 USP2 (0.57) ALDH1A1TDP1TSHRSMN1; SMN2HTT
SCHEMBL3181073 0.76 USP2 (0.57) ALDH1A1TDP1TSHRSMN1; SMN2HTT
SCHEMBL3181082 0.76 USP2 (0.57) ALDH1A1TDP1TSHRSMN1; SMN2HTT
SCHEMBL13045932 0.73 ALDH1A1 (0.50) ALDH1A1TNKSSMN1; SMN2HTTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467979-B1 FUSED HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2008-08-13 EP claimed
US-7087636-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US claimed
US-20030181728-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-09-25 US claimed
EP-1467979-B1 FUSED HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2008-08-13 EP disclosed
US-7342034-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
US-7291637-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7087636-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060020002-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-01-26 US disclosed
US-20050187273-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-08-25 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 (3 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-20060020002-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NR5A2, NR5A1 ALDH1A1 3872/4885TDP1 4098/4885TNKS 2956/4885
US-20050187273-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NR5A2, NR5A1 ALDH1A1 3872/4885TDP1 4098/4885TNKS 2956/4885
US-20030181728-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NR5A2, NR5A1 ALDH1A1 3872/4885TDP1 4098/4885TNKS 2956/4885

“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.