SCHEMBL17486282

SCHEMBL17486282

Brc1cnc(I)c(OCCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
SLC6A4 P31645 2/20 0.47
HTR2B P41595 2/20 0.47
HTR6 P50406 1/20 0.47
CYP11B1 P15538 10/20 0.42
CYP11B2 P19099 10/20 0.42
IDO1 P14902 1/20 0.42
MAPK14 Q16539 1/20 0.41
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CYP19A1 P11511 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL16783487 0.84 GCK (0.49) SLC6A4MAPK14
SCHEMBL20805427 0.82 HTR2C (0.48) HTR2CSLC6A4HTR2BHTR6CYP11B1
SCHEMBL20805804 0.82 CYP11B1 (0.42) CYP11B1CYP11B2IDO1CYP19A1NPC1
SCHEMBL28113167 0.82 HTR2C (0.47) HTR2CSLC6A4HTR2BHTR6CYP11B1
SCHEMBL29081826 0.74 HTR2C (0.45) HTR2CSLC6A4HTR2BHTR6CYP11B1
SCHEMBL26931925 0.74 PLAU (0.36) SLC6A4
SCHEMBL30683028 0.74 PLAU (0.36) SLC6A4
SCHEMBL23782740 0.72 KDM4E (0.35) NPC1
SCHEMBL31034244 0.72 KDM4E (0.35) NPC1
SCHEMBL29021806 0.72 GRM5 (0.44) NPC1

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-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 HTR2C 4357/4885SLC6A4 2877/4885HTR2B 4481/4885

“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.