SCHEMBL1344186

SCHEMBL1344186

CCc1ccc(-c2nnn(CCN(C)C(=O)NCc3ccccc3Cl)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
LTA4H P09960 1/20 0.41
LMNA P02545 3/20 0.41
DDX3X O00571 1/20 0.41
S1PR2 O95136 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
SCHEMBL1346103 0.79 MAPT (0.49) HPGDTSHRHSD17B10MAPTTHRB
SCHEMBL1344118 0.78 MAPT (0.48) HPGDTSHRHSD17B10MAPTTHRB
SCHEMBL1345644 0.77 HTT (0.51) HPGDTSHRHSD17B10MAPTTHRB
SCHEMBL1346301 0.77 MAPT (0.47) HPGDTSHRHSD17B10MAPTTHRB
SCHEMBL1345999 0.77 MAPT (0.47) HPGDTSHRHSD17B10MAPTTHRB
SCHEMBL1346817 0.75 MAPT (0.46) HPGDTSHRHSD17B10MAPTTHRB
SCHEMBL1345568 0.75 MAPT (0.45) HPGDTSHRHSD17B10MAPTTHRB
SCHEMBL4993840 0.73 CNR1 (0.51) MAPTTP53SMN1; SMN2RAB9AL3MBTL1
SCHEMBL4997027 0.73 SMN1; SMN2 (0.43) MAPTTP53SMN1; SMN2RAB9AL3MBTL1
SCHEMBL1345643 0.73 TP53 (0.60) HPGDMAPTTHRBTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132548-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US 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-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-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
US-20080132548-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US disclosed
US-20080132548-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 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 (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 HPGD 1528/4885TSHR 3960/4885HSD17B10 2636/4885

“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.