SCHEMBL1145751

SCHEMBL1145751

[CH2]OCc1cc(Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.44
TP53 P04637 2/20 0.42
CYP3A4 P08684 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 2/20 0.39
SLC22A1 O15245 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HSPD1 P10809 1/20 0.39
HSPA5 P11021 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39

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
SCHEMBL1989190 0.83 IDO1 (0.64) IDO1TP53CYP3A4KMT2AMAPT
SCHEMBL12873450 0.80 IDO1 (0.45) IDO1TP53CYP3A4MEN1KMT2A
SCHEMBL3152314 0.79 IDO1 (0.41) IDO1TP53CYP3A4MEN1KMT2A
SCHEMBL4019593 0.78 IDO1 (0.70) IDO1TP53CYP3A4TSHR
SCHEMBL1145754 0.78 IDO1 (0.44) IDO1TP53CYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL2514135 0.77 IDO1 (0.71) IDO1TP53CYP3A4TSHR
SCHEMBL6505160 0.75 IDO1 (0.41) IDO1TP53LMNACYP2C9CYP2C19
SCHEMBL1547586 0.75 TP53 (0.48) IDO1TP53CYP3A4MEN1KMT2A
SCHEMBL6943180 0.74 IDO1 (0.40) IDO1TP53CYP3A4MEN1KMT2A
SCHEMBL11308859 0.74 IDO1 (0.40) IDO1TP53CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 US claimed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (4 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 IDO1 4247/4885TP53 857/4885CYP3A4 4164/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 IDO1 3469/4885TP53 2501/4885CYP3A4 4462/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 IDO1 3192/4885TP53 2960/4885CYP3A4 4493/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR IDO1 2152/4885TP53 835/4885CYP3A4 4363/4885

“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.