SCHEMBL3709903

SCHEMBL3709903

CCc1cccc(CCl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
CXCR4 P61073 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
PARP1 P09874 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
Hydrochloric Acid SCHEMBL9939003 0.98 KCNH2 (0.42) KCNH2CXCR4HRH4NPC1POLB
SCHEMBL734728 0.87 KCNH2 (0.44) KCNH2CXCR4HRH4GRIN2DGRIN3B
SCHEMBL45869 0.87 KCNH2 (0.52) KCNH2CXCR4HRH4GRIN2DGRIN3B
SCHEMBL11564452 0.85 KCNH2 (0.50) KCNH2CXCR4HRH4GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL6588203 0.85 GRIN2D (0.43) KCNH2CXCR4HRH4NPC1POLB
Hydrochloric Acid SCHEMBL27939918 0.77 KCNH2 (0.66) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12242755 0.76 KCNH2 (0.43) KCNH2CXCR4HRH4GRIN2DGRIN3B
SCHEMBL5104176 0.76 CCR1 (0.44) KCNH2CXCR4HRH4GRIN2DGRIN3B
SCHEMBL7685870 0.76 KCNH2 (0.59) KCNH2CXCR4HRH4GAAGRIN2D
SCHEMBL16682585 0.76 KCNH2 (0.41) KCNH2CXCR4HRH4GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3188832-B1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS YEDA RES & DEV (IL) 2023-10-04 EP disclosed
US-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2018-08-02 US disclosed
CN-104151292-A Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL 2014-11-19 CN disclosed
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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 (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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R KCNH2 895/4885CXCR4 1922/4885HRH4 38/4885
US-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ADORA2A, ADORA2B, ADORA1 KCNH2 4207/4885CXCR4 503/4885HRH4 787/4885

“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.