SCHEMBL5063274

SCHEMBL5063274

O=C(Cl)c1ccc(OCc2ccccc2)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
ALDH1A1 P00352 1/20 0.63
MAOB P27338 5/20 0.58
MRGPRX4 Q96LA9 3/20 0.55
S1PR1 P21453 1/20 0.52
PRKX P51817 1/20 0.52
ACVR1 Q04771 1/20 0.52
S1PR5 Q9H228 1/20 0.52
NR4A2 P43354 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
ALOX5 P09917 1/20 0.50
MAOA P21397 2/20 0.49
PARP10 Q53GL7 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL1115026 0.89 MEN1 (0.67) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9440728 0.88 MEN1 (0.66) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2323743 0.88 MEN1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30254080 0.88 MAOB (0.61) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9547750 0.87 MAOB (0.74) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4939266 0.86 MAOB (0.60) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5383428 0.85 KMT2A (0.63) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10658498 0.84 MEN1 (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11751536 0.84 MEN1 (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28065631 0.84 ALDH1A1 (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110099893-A A kind of preparation method for bending western DOPA and its intermediate 广东东阳光药业有限公司 2019-08-06 CN claimed
CN-110099893-A A kind of preparation method for bending western DOPA and its intermediate 广东东阳光药业有限公司 2019-08-06 CN disclosed
CN-109370614-A A kind of aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal display element 中节能万润股份有限公司 2019-02-22 CN disclosed
US-8338459-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2012-12-25 US disclosed
CN-102316733-A HETEROCYCLIC COMPOUNDS AND METHODS OF USE INST MEDICAL W & E HALL 2012-01-11 CN disclosed
US-20110092545-A1 Compounds, Compositions and Methods for Stabilizing Transthyretin and Inhibiting Transthyretin Misfolding FoldRx Pharmaceuticals, Inc., a Massachusetts corporation 2011-04-21 US disclosed
US-7868033-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 EP disclosed
US-5328641-A Naphthalene ester derivatives with trifluoromethyl groups SHOWA SHELL SEKIYU KABUSHIKI KAISHA 1994-07-12 US disclosed
US-5207947-A Trifluoroalkyl diaryl triesters; antiferroelectricity; electrooptics SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1993-05-04 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 (2 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 MEN1 1124/4885KMT2A 3949/4885NPC1 2311/4885
US-20110092545-A1 Compounds, Compositions and Methods for Stabilizing Transthyretin and Inhibiting Transthyretin Misfolding TTR, ALB, TTPA MEN1 3274/4885KMT2A 3793/4885NPC1 1430/4885

“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.