SCHEMBL19972183

SCHEMBL19972183

CC(=O)c1cc(Br)c(N)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SLC9A1 P19634 1/20 0.33
POLB P06746 2/20 0.33
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
HTT P42858 1/20 0.31
LRRK2 Q5S007 1/20 0.30
MAPK1 P28482 1/20 0.30
PDGFRA P16234 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
Bromide SCHEMBL21485332 0.98 MAOB (0.38) MAOBMAOASMN1; SMN2KEAP1NFE2L2
SCHEMBL20657839 0.86 MAOB (0.39) MAOBMAOASMN1; SMN2KMT2AKDM4E
SCHEMBL29875394 0.81 ABL1 (0.45) KMT2AKDM4EMEN1ALDH1A1PKM
SCHEMBL26918326 0.81 ABL1 (0.45) KMT2AKDM4EMEN1ALDH1A1PKM
SCHEMBL18412803 0.73 MAOB (0.35) MAOBMAOASMN1; SMN2KEAP1NFE2L2
SCHEMBL24659358 0.73 KEAP1 (0.42) SMN1; SMN2KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL22246397 0.73 SMN1; SMN2 (0.39) MAOBMAOASMN1; SMN2KDM4EALDH1A1
SCHEMBL20302581 0.73 SMN1; SMN2 (0.44) MAOBSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL2400774 0.72 HTT (0.39) KMT2AHTT
SCHEMBL25944824 0.71 SMN1; SMN2 (0.45) MAOBMAOASMN1; SMN2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 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-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI MAOB 916/4885MAOA 860/4885SMN1; SMN2 4625/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI MAOB 916/4885MAOA 860/4885SMN1; SMN2 4625/4885

“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.