SCHEMBL4037799

SCHEMBL4037799

N#CNC(=S)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.62
MAPT P10636 7/20 0.57
ALDH1A1 P00352 5/20 0.57
LMNA P02545 5/20 0.57
GAA P10253 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.53
NPSR1 Q6W5P4 3/20 0.51
HTT P42858 2/20 0.51
ALOX12 P18054 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
EPHX1 P07099 1/20 0.50
EPHX2 P34913 1/20 0.50
POLB P06746 1/20 0.47

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
SCHEMBL5408431 0.84 IDO1 (0.44) IDO1MAPTALDH1A1LMNAGAA
SCHEMBL4555003 0.83 IDO1 (0.78) IDO1MAPTALDH1A1LMNAGAA
SCHEMBL2973297 0.80 MAPT (0.58) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL8898310 0.79 EPHX1 (0.50) IDO1MAPTALDH1A1LMNAGAA
SCHEMBL11611806 0.79 IDO1 (0.56) IDO1MAPTALDH1A1LMNAGAA
SCHEMBL6982146 0.79 MAPT (0.56) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL8983449 0.78 IDO1 (0.63) IDO1MAPTALDH1A1LMNAGAA
SCHEMBL10660750 0.77 IDO1 (0.68) IDO1MAPTALDH1A1LMNAGAA
SCHEMBL4555049 0.77 MEN1 (0.68) IDO1MAPTALDH1A1LMNAGAA
SCHEMBL5988806 0.77 IDO1 (1.00) IDO1MAPTALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230243-B1 POYCYLOALKYLPURINES AS ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC INC (US) 2009-03-04 EP claimed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-22 US disclosed
EP-1463728-A4 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-12-21 EP disclosed
EP-1463728-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-10-06 EP disclosed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 US disclosed
WO-2003053354-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US disclosed
EP-1299385-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-04-09 EP disclosed
WO-2002000653-A2 FUSED CYCLIC COMPOUNDS AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 WO disclosed
EP-0501797-B1 Pyranyl cyanoguanidine derivatives SQUIBB & SONS INC (US) 1996-06-05 EP disclosed
EP-0501797-A1 Pyranyl cyanoguanidine derivatives E.R. SQUIBB & SONS, INC. (US) 1992-09-02 EP disclosed
US-5140031-A Pyranyl cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1992-08-18 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-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function NR2C2, NR0B2, NR0B1 IDO1 1701/4885MAPT 4832/4885ALDH1A1 4495/4885
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 IDO1 4098/4885MAPT 4504/4885ALDH1A1 4518/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 IDO1 4098/4885MAPT 4504/4885ALDH1A1 4518/4885

“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.