SCHEMBL6773687

SCHEMBL6773687

COc1ccc(C2=NNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.46
MAOB P27338 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SCN4A P35499 1/20 0.41
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
PTGIR P43119 2/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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 0.81 TEAD4 (0.40) NISCHMAOBRAB9AALDH1A1SMN1; SMN2
SCHEMBL6769065 0.81 MAPT (0.48) CA1CA2RAB9AALDH1A1SMN1; SMN2
SCHEMBL12922944 0.80 NISCH (0.51) NISCHMAOBRAB9AALDH1A1SMN1; SMN2
SCHEMBL6768059 0.79 KDR (0.43) NISCHMAOBRAB9AALDH1A1SMN1; SMN2
SCHEMBL14484331 0.77 PDE4B (0.61) MAOBALDH1A1MAPTKDM4EGAA
SCHEMBL10964893 0.77 DRD1 (0.41) RAB9AALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL23768672 0.75 MEN1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL6771472 0.75 PTPN1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL554697 0.75 KDR (0.43) RAB9AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL6771534 0.75 HTR2A (0.38) MAOBRAB9AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423374-B Dihydropyrazole sulfonamide compound and preparation method and application thereof 合肥工业大学 2023-03-21 CN disclosed
CN-111423374-A Dihydropyrazole sulfonamide compound and preparation method and application thereof 合肥工业大学 2020-07-17 CN disclosed
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 NISCH 2605/4885MAOB 3082/4885CA12 4010/4885

“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.