SCHEMBL3144936

SCHEMBL3144936

O=C(CCl)c1ccc2c(c1)CCN2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 4/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
ACHE P22303 12/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 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
SCHEMBL9138230 0.91 MAPT (0.68) MAPTKDM4EALDH1A1CYP2C9ALOX15
Hydrochloric Acid SCHEMBL16753334 0.89 MAPT (0.66) MAPTKDM4EALDH1A1CYP2C9ALOX15
SCHEMBL7706274 0.85 KDM4E (0.55) MAPTKDM4EALDH1A1CYP2C9ALOX15
SCHEMBL1682109 0.84 KDM4E (0.54) MAPTKDM4EALDH1A1CYP2C9ALOX15
SCHEMBL23217085 0.81 KDM4E (0.55) MAPTKDM4EALDH1A1CYP2C9ALOX15
SCHEMBL11807250 0.81 ALDH1A1 (0.57) MAPTKDM4EALDH1A1CYP2C9ALOX15
SCHEMBL29530477 0.80 KDM4E (0.81) MAPTKDM4EALDH1A1CYP2C9ALOX15
SCHEMBL2638095 0.80 KDM4E (0.81) MAPTKDM4EALDH1A1CYP2C9ALOX15
SCHEMBL11139844 0.79 ALDH1A1 (0.49) MAPTKDM4EALDH1A1CYP2C9ALOX15
SCHEMBL27428033 0.79 ACHE (0.58) MAPTKDM4EALDH1A1CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951055-B2 Thiazole-based inhibitors of scavenger receptor BI MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-04-24 US disclosed
US-9951055-B2 Thiazole-based inhibitors of scavenger receptor BI MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-04-24 US disclosed
US-9951055-B2 Thiazole-based inhibitors of scavenger receptor BI MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-04-24 US disclosed
US-20160060254-A1 THIAZOLE-BASED INHIBITORS OF SCAVENGER RECEPTOR BI THE BROAD INSTITUTE, INC. 2016-03-03 US disclosed
US-20160060254-A1 THIAZOLE-BASED INHIBITORS OF SCAVENGER RECEPTOR BI THE BROAD INSTITUTE, INC. 2016-03-03 US disclosed
US-20160060254-A1 THIAZOLE-BASED INHIBITORS OF SCAVENGER RECEPTOR BI THE BROAD INSTITUTE, INC. 2016-03-03 US disclosed
WO-2014063167-A1 THIAZOLE-BASED INHIBITORS OF SCAVENGER RECEPTOR BI THE BROAD INSTITUTE, INC. (US) 2014-04-24 WO disclosed
WO-2014063167-A1 THIAZOLE-BASED INHIBITORS OF SCAVENGER RECEPTOR BI THE BROAD INSTITUTE, INC. (US) 2014-04-24 WO disclosed
US-20100076049-A1 NOVEL OXINDOLE DERIVATIVE THERAVALUES CORPORATION (JP) 2010-03-25 US disclosed
EP-2130829-A1 NOVEL HYDROXYINDOLE DERIVATIVE Theravalues Corporation (JP) 2009-12-09 EP 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 (2 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-20100076049-A1 NOVEL OXINDOLE DERIVATIVE CYP2C9, HDAC10, SIGMAR1 MAPT 3912/4885KDM4E 3306/4885ALDH1A1 957/4885
US-20160060254-A1 THIAZOLE-BASED INHIBITORS OF SCAVENGER RECEPTOR BI SCARB1, HAVCR2, LDLR MAPT 4082/4885KDM4E 4719/4885ALDH1A1 1977/4885

“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.