SCHEMBL2137304

SCHEMBL2137304

COc1c(Br)cccc1C(=N)NO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AHR P35869 1/20 0.36
LCLAT1 Q6UWP7 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EGFR P00533 1/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.33
NQO2 P16083 1/20 0.33
PPARG P37231 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL3277178 0.82 KMT2A (0.49) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL17063900 0.81 NPC1 (0.41) RAB9ANPC1KMT2ALCLAT1GAA
SCHEMBL184184 0.76 LMNA (0.48) RAB9ANPC1MEN1KMT2AAHR
SCHEMBL2134095 0.76 SMN1; SMN2 (0.37) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL27978394 0.74 ALDH1A1 (0.42) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL29730967 0.74 RAB9A (0.45) RAB9ANPC1MEN1KMT2AAHR
SCHEMBL184917 0.74 HSD17B10 (0.58) HSD17B10ALDH1A1POLBKDM4EHPGD
SCHEMBL13091554 0.74 RAB9A (0.45) RAB9ANPC1MEN1KMT2AAHR
SCHEMBL16454332 0.74 MTNR1A (0.48) RAB9ANPC1MEN1KMT2AAHR
SCHEMBL364729 0.73 ALDH1A1 (0.46) MEN1KMT2AEGFRALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445891-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
WO-2010148649-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 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-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 RAB9A 1337/4885NPC1 154/4885MEN1 1623/4885

“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.