SCHEMBL159146

SCHEMBL159146

NNc1nccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.55
▸ F12 P00748 1/20 0.55
▸ NCF1 P14598 1/20 0.55
▸ NOS3 P29474 1/20 0.55
▸ NOS1 P29475 1/20 0.55
▸ NOS2 P35228 1/20 0.55
▸ BACE1 P56817 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ GOT1 P17174 3/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ MAOA P21397 2/20 0.53
▸ PTGS1 P23219 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ MPO P05164 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53

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
Hydrazine SCHEMBL5804370 0.98 PLAU (0.53) PLAUF12NCF1NOS3NOS1
SCHEMBL6175758 0.83 EGFR (0.56) PLAUF12NCF1NOS3NOS1
SCHEMBL34467229 0.83 EGFR (0.56) PLAUF12NCF1NOS3NOS1
SCHEMBL4479184 0.79 CYP2A6 (0.55) PLAUF12NCF1NOS3NOS1
SCHEMBL27931662 0.79 FDPS (0.51) PLAUF12NCF1NOS3NOS1
SCHEMBL24170548 0.79 FDPS (0.51) PLAUF12NCF1NOS3NOS1
SCHEMBL1133566 0.79 FDPS (0.56) PLAUF12NCF1NOS3NOS1
SCHEMBL6435471 0.77 FDPS (0.50) PLAUF12NCF1NOS3NOS1
SCHEMBL10717431 0.76 FDPS (0.49) PLAUF12NCF1NOS3NOS1
SCHEMBL1921849 0.76 ABCG2 (0.53) PLAUF12NCF1NOS3NOS1

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 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160848-A1 Method of controlling damage mediated by alpha, beta-unsaturated aldehydes ADELAIDE, THE UNIVERSITY OF (AU) 2006-07-20 — — US claimed
WO-2006002473-A1 METHOD OF CONTROLLING DAMAGE MEDIATED BY ALPHA, BETA-UNSATURATED ALDEHYDES ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2006-01-12 — — WO claimed
US-20250136987-A1 CHANNEL MODULATORS INFLAMMX THERAPEUTICS, INC. 2025-05-01 — — US disclosed
EP-4491184-A2 CHANNEL MODULATORS Auckland Uniservices Limited (NZ) 2025-01-15 — — EP disclosed
EP-3183346-B1 CHANNEL MODULATORS AUCKLAND UNISERVICES LTD (NZ) 2024-10-23 — — EP disclosed
EP-3558969-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-18 — — EP disclosed
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-09-03 — — US disclosed
US-20230174980-A1 CHANNEL MODULATORS INFLAMMX THERAPEUTICS, INC. 2023-06-08 — — US disclosed
US-11618748-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2023-04-04 — — US disclosed
US-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. 2022-10-06 — — US disclosed
CN-110483481-B Indole-substituted dihydroisoquinoline compound and synthesis method thereof 湖南科技大学 2022-09-16 — — CN disclosed
WO-2006023750-A2 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-03-02 — — WO disclosed
WO-2006002473-A1 METHOD OF CONTROLLING DAMAGE MEDIATED BY ALPHA, BETA-UNSATURATED ALDEHYDES ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2006-01-12 — — WO disclosed
WO-2002081474-A1 TRIAZOLOPHTHALAZINE / QUINOLINE / ISOQUINOLINE DERIVATIVES WHICH ARE LIGANDS FOR GABA-A RECEPTORS CONTAINING THE ALPHA 5 SUBTYPE MERCK SHARP & DOHME LIMITED (GB) 2002-10-17 — — WO disclosed
EP-0224842-B1 PYRAZOLESULFONAMIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND HERBICIDE CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-02-05 — — EP disclosed
US-4844728-A Pyrazolesulfonamide derivative, and herbicide containing it NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-04 — — US disclosed
US-4837308-A Process for the preparation of azo compounds BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 — — US disclosed
EP-0201892-B1 METHOD OF MAKING AZO COMPOUNDS BAYER AG (DE) 1989-03-08 — — EP disclosed
EP-0201892-A1 Method of making azo compounds BAYER AG (DE) 1986-11-20 — — EP disclosed
US-3992539-A S-triazolo-[3,4-a]isoquinolines in treating inflammatory disorders MALLINCKRODT, INC. (US) 1976-11-16 — — 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 (6 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-20230174980-A1 CHANNEL MODULATORS GJB2, GJA1, P2RX2 PLAU 3749/4885F12 2811/4885NCF1 2645/4885
US-11618748-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 PLAU 2442/4885F12 3880/4885NCF1 2397/4885
US-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 PLAU 4527/4885F12 2878/4885NCF1 2448/4885
US-20060160848-A1 Method of controlling damage mediated by alpha, beta-unsaturated aldehydes ALDH2, ALDH1A1, HACL2 PLAU 1708/4885F12 1811/4885NCF1 724/4885
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 PLAU 4527/4885F12 2878/4885NCF1 2448/4885
US-20250136987-A1 CHANNEL MODULATORS GJB2, GJA1, P2RX2 PLAU 3749/4885F12 2811/4885NCF1 2645/4885

“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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