SCHEMBL28330785

SCHEMBL28330785

c1ccc(-c2cc(C3CC3)nn2-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MGLL Q99685 2/20 0.53
▸ FAAH O00519 1/20 0.53
▸ RPA1 P27694 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ CNR1 P21554 2/20 0.46
▸ CNR2 P34972 2/20 0.46
▸ KCNJ6 P48051 6/20 0.45
▸ KCNJ3 P48549 6/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KCNJ5 P48544 2/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ USP8 P40818 1/20 0.43

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
SCHEMBL2598511 0.81 L3MBTL1 (0.51) NPC1RAB9ALMNATP53PKM
SCHEMBL15781026 0.80 CACNA1B (0.67) NPC1RAB9ALMNATP53PKM
SCHEMBL13157595 0.80 MGLL (0.51) NPC1RAB9ALMNATP53PKM
SCHEMBL31522194 0.79 NPC1 (0.59) NPC1RAB9ALMNATP53PKM
SCHEMBL6053457 0.78 RAB9A (0.67) NPC1RAB9ALMNASMN1; SMN2RPA1
SCHEMBL1011586 0.78 RAB9A (0.88) NPC1RAB9ALMNATP53PKM
SCHEMBL11790285 0.78 DDB1 (0.48) NPC1RAB9ALMNATP53PKM
SCHEMBL3093919 0.78 KCNJ6 (0.50) NPC1RAB9ALMNATP53PKM
SCHEMBL12185564 0.77 PRCP (0.47) SMN1; SMN2MGLLKCNJ6KCNJ3KCNJ5
SCHEMBL12186018 0.77 CACNA1B (0.49) NPC1RAB9ALMNATP53PKM

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-106831584-B A kind of efficient method for preparing tri- substituted pyrazolecarboxylic class compound of 1,3,5- 江西师范大学 2019-11-22 — — CN claimed
US-20260009142-A1 Electrochemical synthesis of pyrazolines and pyrazoles BAYER AG (DE) 2026-01-08 — — US disclosed
EP-4555128-A1 ELECTROCHEMICAL SYNTHESIS OF PYRAZOLINES AND PYRAZOLES Bayer Aktiengesellschaft (DE) 2025-05-21 — — EP disclosed
CN-119698496-A Electrochemical synthesis of pyrazolines and pyrazoles 拜耳公司 2025-03-25 — — CN disclosed
WO-2024012791-A1 ELECTROCHEMICAL SYNTHESIS OF PYRAZOLINES AND PYRAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-18 — — WO 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-20260009142-A1 Electrochemical synthesis of pyrazolines and pyrazoles CYP2E1, CYP2F1, CYP4F2 NPC1 4503/4885RAB9A 4644/4885LMNA 3391/4885

“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.

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