SCHEMBL13044634

SCHEMBL13044634

CCOC(=O)C(Br)c1cc(C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
LMNA P02545 1/20 0.39
NUDT1 P36639 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
UHRF1 Q96T88 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4933871 0.84 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL3641061 0.80 UHRF1 (0.41) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL8872516 0.79 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL10528852 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL31443326 0.76 KMT2A (0.39) SMN1; SMN2MEN1KMT2AGAAPKM
SCHEMBL15999192 0.76 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL17331878 0.74 CASP1 (0.49) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL13044641 0.73 NOS3 (0.42) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL31582988 0.72 SMN1; SMN2 (0.34) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL9138377 0.71 ALDH1A1 (0.43) GAACYP1A2CYP2C9CYP2C19

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
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 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-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GIPR, GHSR, GLP1R SMN1; SMN2 3692/4885MEN1 3070/4885KMT2A 3646/4885

“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.