SCHEMBL1345983

SCHEMBL1345983

CCCc1ccc(-c2nnn(CC(C)(C)C(=O)NCc3ccccc3C)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
USP2 O75604 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40
DDX3X O00571 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1344382 0.90 MAPT (0.46) LMNAPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL1346178 0.90 RIPK1 (0.52) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL1346807 0.88 SMN1; SMN2 (0.51) LMNASMN1; SMN2TSHRUSP2TP53
SCHEMBL1345924 0.86 THRB (0.39) SMN1; SMN2RAB9ATSHRNPC1MAPT
SCHEMBL1345980 0.85 LMNA (0.51) LMNAPOLBSMN1; SMN2RAB9ATSHR
SCHEMBL1345783 0.84 THRB (0.44) LMNAPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL1343958 0.84 RAB9A (0.42) LMNAPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL1346024 0.83 MMP13 (0.44) LMNAPOLBSMN1; SMN2RAB9ATSHR
SCHEMBL1346801 0.82 LMNA (0.44) LMNAMAPTALDH1A1TP53
SCHEMBL1346103 0.82 MAPT (0.49) LMNAPOLBSMN1; SMN2RAB9ATSHR

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 216/4885POLB 2180/4885SMN1; SMN2 252/4885

“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.