SCHEMBL5458527

SCHEMBL5458527

COc1cccc2c1CN(C(=S)NC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
GAA P10253 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44

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
SCHEMBL5445346 0.90 ABHD6 (0.47) KMT2AMEN1GAACYP1A2CYP3A4
SCHEMBL5452590 0.80 DRD2 (0.51) KMT2AMEN1GAACYP1A2CYP3A4
SCHEMBL5451822 0.80 MAPT (0.58) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL5451032 0.79 GRM7 (0.48) KMT2AMEN1ALDH1A1KDM4ETAAR1
SCHEMBL5458468 0.78 DRD2 (0.44) POLBLMNADRD2DRD1DRD5
SCHEMBL5447851 0.78 ALDH1A1 (0.54) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL30641865 0.75 DRD2 (0.51) KMT2AKDM4ENPC1RAB9ADRD2
SCHEMBL5453670 0.74 CYP2D6 (0.49) KMT2AMEN1ALDH1A1KDM4ETAAR1
SCHEMBL5451785 0.74 POLB (0.52) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5450957 0.73 DRD1 (0.49) KMT2AMEN1GAACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 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 (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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A KMT2A 2911/4885MEN1 2444/4885GAA 3285/4885

“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.