SCHEMBL396381

SCHEMBL396381

O=c1ccc(Br)cn1CC#CCc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
CYP1B1 Q16678 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
AGTR1 P30556 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL104098 0.70 GRM5 (0.40) ALDH1A1KCNH2NPC1RAB9A
SCHEMBL396380 0.70 HSD17B10 (0.39) KMT2AALDH1A1MEN1PKMAGTR1
SCHEMBL27828226 0.65 SMN1; SMN2 (0.47) ALDH1A1MAPTSMN1; SMN2
SCHEMBL19645659 0.65 HRH3 (0.44) KDM4EALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL1882967 0.63 SMN1; SMN2 (0.47) KMT2AKDM4EALDH1A1MEN1PKM
SCHEMBL17039186 0.63 SMN1; SMN2 (0.48) ALDH1A1CYP1A2CYP2C19MAPTSMN1; SMN2
SCHEMBL6198515 0.63 HRH1 (0.45) ALDH1A1CYP1A2MAPTSMN1; SMN2HSD17B10
SCHEMBL14127741 0.62 HRH3 (0.42) KDM4EALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL348980 0.62
SCHEMBL15230184 0.62 MAPT (0.46) KMT2AKDM4EALDH1A1MEN1PKM

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-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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 (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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 KMT2A 1833/4885KDM4E 1986/4885ALDH1A1 2496/4885

“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.