SCHEMBL6769065

SCHEMBL6769065

CCOc1ccc(C2=NNCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
LMNA P02545 2/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
NQO1 P15559 1/20 0.47
ALDH1A1 P00352 5/20 0.44
TP53 P04637 3/20 0.44
KDM4E B2RXH2 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
XDH P47989 1/20 0.43
ALOX15 P16050 1/20 0.43
MPI P34949 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 3/20 0.41

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
SCHEMBL13978577 0.77 TEAD4 (0.40) MAPTLMNANPY1RNPY2RALDH1A1
SCHEMBL10968693 0.76 MAPT (0.79) MAPTLMNANPY1RNPY2RRAB9A
SCHEMBL6768059 0.74 KDR (0.43) MAPTLMNAALDH1A1KDM4ERAB9A
SCHEMBL10964893 0.73 DRD1 (0.41) MAPTLMNANPY1RNPY2RALDH1A1
SCHEMBL3931776 0.71 PDE4B (0.43) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL18417193 0.71 NQO1 (0.82) NQO1ALDH1A1TP53KDM4ERAB9A
SCHEMBL9155582 0.71 NQO1 (0.82) NQO1ALDH1A1TP53KDM4ERAB9A
SCHEMBL5833291 0.71 NQO1 (0.82) NQO1ALDH1A1TP53KDM4ERAB9A
SCHEMBL554697 0.71 KDR (0.43) MAPTLMNAALDH1A1KDM4ERAB9A
SCHEMBL6771534 0.71 HTR2A (0.38) MAPTLMNAALDH1A1RAB9ASMN1; SMN2

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 MAPT 284/4885LMNA 4118/4885NPY1R 3838/4885

“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.