SCHEMBL18337205

SCHEMBL18337205

CCc1nc2sc(Br)nn2c(=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 7/20 0.36
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 3/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ITGA2B P08514 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.31
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL18336649 0.79 CYP1A2 (0.45) TDP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL18337277 0.75 AADAT (0.43) AADATNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL18336760 0.68 NPC1 (0.47) AADATTDP1NPC1MAPTRAB9A
SCHEMBL2445247 0.64 CA12 (0.39) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11001243 0.57 DPP4 (0.39) ALDH1A1PKMKDM4E
SCHEMBL454168 0.57 NPC1 (0.36) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL18337522 0.56 ADORA2A (0.45) AADATMAPTALOX15
SCHEMBL18236140 0.55 ALDH1A1 (0.48) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL10995837 0.54 CYP1A2 (0.36)
SCHEMBL1444863 0.53 GPR35 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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-3683222-B1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-10-06 EP disclosed
EP-3683222-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2020-07-22 EP disclosed
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-04 US disclosed
EP-3135674-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 EP disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 US disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 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-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND CBR3, CBR1, CYCS AADAT 3986/4885TDP1 4319/4885NPC1 2170/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS AADAT 4071/4885TDP1 4318/4885NPC1 2168/4885

“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.