SCHEMBL6771575

SCHEMBL6771575

O=C1CCNN=C1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AXL P30530 1/20 0.39
BTK Q06187 1/20 0.37
TSHR P16473 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL15975043 0.74 PRCP (0.44) SMN1; SMN2KDM4ENPC1MAPTL3MBTL1
SCHEMBL972816 0.71 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1KMT2AKDM4EHPGD
SCHEMBL24457588 0.64 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AKDM4EHPGD
SCHEMBL6769108 0.64 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KMT2AKDM4EHPGD
Biphenyl SCHEMBL27603297 0.63 CRBN (0.58) SMN1; SMN2ALDH1A1KMT2AKDM4EHPGD
SCHEMBL2061721 0.61 MEN1 (0.40) SMN1; SMN2ALDH1A1KMT2AKDM4EHPGD
SCHEMBL6736006 0.61 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4EHPGDMAPT
Biphenyl SCHEMBL15657385 0.61 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1KMT2AKDM4EHPGD
SCHEMBL4633787 0.60 MAPT (0.44) SMN1; SMN2ALDH1A1KMT2AKDM4EHPGD
Biphenyl SCHEMBL27725627 0.60 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831083-B2 For therapy and prophylaxis of cerebral ischemia (cerebral infarct and brain edema), sequela of cerebral ischemia, cephalotrauma, glaucoma, retinopathy, epilepsy and amyotrophic lateral sclerosis (ALS), all caused by glutamic acid toxicity MITSUI CHEMICALS, INC. (JP) 2004-12-14 US disclosed
US-20030149046-A1 Pyrazoline derivative or tetrahydropyridazine derivative and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-08-07 US disclosed
EP-1270567-A1 PYRAZOLINE DERIVATIVES OR TETRAHYDROPYRIDAZINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2003-01-02 EP 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-20030149046-A1 Pyrazoline derivative or tetrahydropyridazine derivative and medicinal use thereof SLC1A2, SLC1A1, SLC1A3 SMN1; SMN2 270/4885ALDH1A1 330/4885KMT2A 4002/4885

“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.