SCHEMBL3734018

SCHEMBL3734018

CCCCCc1nc2cc(CCI)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GRK6 P43250 1/20 0.49
RAB9A P51151 10/20 0.46
NPC1 O15118 9/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL3744500 0.86 KMT2A (0.58) MEN1KMT2AGRK6RAB9ANPC1
SCHEMBL26554134 0.86 MEN1 (0.57) MEN1KMT2AGRK6RAB9ANPC1
SCHEMBL26553781 0.84 MEN1 (0.56) MEN1KMT2AGRK6RAB9ANPC1
SCHEMBL29437090 0.84 MEN1 (0.56) MEN1KMT2AGRK6RAB9ANPC1
SCHEMBL26553782 0.84 MEN1 (0.56) MEN1KMT2AGRK6RAB9ANPC1
Hydrochloric Acid SCHEMBL25438479 0.83 MEN1 (0.54) MEN1KMT2AGRK6RAB9ANPC1
Hydrochloric Acid SCHEMBL25402084 0.83 MEN1 (0.54) MEN1KMT2AGRK6RAB9ANPC1
SCHEMBL26553778 0.82 MEN1 (0.53) MEN1KMT2AGRK6RAB9ANPC1
Hydrochloric Acid SCHEMBL25400160 0.81 MEN1 (0.52) MEN1KMT2AGRK6RAB9ANPC1
SCHEMBL13041617 0.80 MEN1 (0.51) MEN1KMT2AGRK6RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622866-B1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-07-25 EP disclosed
US-7825260-B2 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2006-09-21 US disclosed
EP-1622866-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096757-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2004-11-11 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-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators S1PR1, S1PR3, S1PR2 MEN1 3336/4885KMT2A 3596/4885GRK6 479/4885

“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.