SCHEMBL377140

SCHEMBL377140

OCC1CCCN1C(Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.42
PDE10A Q9Y233 2/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
PTPN1 P18031 1/20 0.39
FABP4 P15090 1/20 0.39
KDM4E B2RXH2 2/20 0.38
IDO1 P14902 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL377139 1.00 GAA (0.44) GAAKMT2APDE10ACYP2D6CYP2C9
SCHEMBL376899 0.85 KCNH2 (0.40) KMT2ACYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL6095523 0.85 KMT2A (0.46) KMT2APDE10ACYP2D6CYP2C9CYP2C19
SCHEMBL6093822 0.85 KMT2A (0.46) KMT2APDE10ACYP2D6CYP2C9CYP2C19
SCHEMBL6097414 0.74 AKR1C3 (0.44) KMT2ACYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL7162091 0.71 GAA (0.45) GAAKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL7068565 0.71 CYP3A4 (0.42) GAAKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL17910629 0.70 RAB9A (0.58) GAAKMT2ACYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16447884 0.69 RAB9A (0.60) GAAKMT2ACYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL17910498 0.69 RAB9A (0.60) GAAKMT2ACYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9101628-B2 Methods and composition of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-11 US disclosed
EP-2408449-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION The Board Of Trustees Of The University Of the Leland Stanford Junior University (US) 2012-01-25 EP disclosed
WO-2010107739-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 WO disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 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 (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-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 GAA 1100/4885KMT2A 2858/4885PDE10A 2785/4885

“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.