Sugi Predict

Sugi Predict / Compounds / SCHEMBL1346801

SCHEMBL1346801

SCHEMBL1346801

CCCc1ccc(-c2nnn(CC(C)(C)C(=O)NCc3ccc(Cl)cc3Cl)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NLRP1 Q9C000 1/20 0.44
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ P2RX7 Q99572 5/20 0.38
▸ SLC16A3 O15427 1/20 0.37
▸ SLC16A1 P53985 1/20 0.37
▸ MCTS1 Q9ULC4 1/20 0.37
▸ ERCC1 P07992 1/20 0.37
▸ ERCC4 Q92889 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
SCHEMBL1346800 0.91 P2RX7 (0.43) TP53P2RX7
SCHEMBL1344382 0.89 MAPT (0.46) LMNATP53MAPT
SCHEMBL1346799 0.87 TP53 (0.46) LMNAMAPK1NLRP1TP53GAA
SCHEMBL1345924 0.85 THRB (0.39) TP53GAAMAPTALDH1A1HTT
SCHEMBL1346807 0.82 SMN1; SMN2 (0.51) LMNATP53
SCHEMBL1344134 0.82 MAPT (0.49) TP53GAAMAPTALDH1A1HTT
SCHEMBL1345783 0.81 THRB (0.44) LMNATP53MAPT
SCHEMBL1346178 0.81 RIPK1 (0.52) LMNATP53GAAMAPTALDH1A1
SCHEMBL1346103 0.81 MAPT (0.49) LMNATP53MAPT
SCHEMBL1345742 0.81 MEN1 (0.50) MAPK1TP53MAPTALDH1A1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063082-B2 E.g., N-[(2-chlorophenyl)methyl]({[5-(4-ethylphenyl)(1,2,3,4-tetraazol-2-yl)]methyl}cyclopropyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-11-22 — — US claimed
US-20080132548-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 — — US claimed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 — — WO claimed
US-8063082-B2 E.g., N-[(2-chlorophenyl)methyl]({[5-(4-ethylphenyl)(1,2,3,4-tetraazol-2-yl)]methyl}cyclopropyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-11-22 — — US disclosed
US-20080132548-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 — — US disclosed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 — — 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-20080132548-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 LMNA 216/4885MAPK1 2926/4885NLRP1 4884/4885

“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.