SCHEMBL1345644

SCHEMBL1345644

CCCc1ccc(-c2nnn(CCC(=O)NCc3ccccc3Cl)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
HPGD P15428 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 2/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL1345643 0.86 TP53 (0.60) HTTHPGDMAPTSMN1; SMN2RAB9A
SCHEMBL1344382 0.83 MAPT (0.46) HPGDMAPTSMN1; SMN2RAB9AATM
SCHEMBL1346661 0.77 SMN1; SMN2 (0.67) HTTHPGDTSHRMAPTSMN1; SMN2
SCHEMBL1345783 0.77 THRB (0.44) HPGDMAPTSMN1; SMN2RAB9AATM
SCHEMBL1344186 0.77 HPGD (0.49) HTTHPGDTSHRHSD17B10MAPT
SCHEMBL1345924 0.76 THRB (0.39) HTTHPGDTSHRHSD17B10MAPT
SCHEMBL4799202 0.75 HPGD (0.58) HTTHPGDTSHRHSD17B10MAPT
SCHEMBL1346103 0.74 MAPT (0.49) HPGDTSHRHSD17B10MAPTSMN1; SMN2
SCHEMBL1344118 0.74 MAPT (0.48) HPGDTSHRHSD17B10MAPTSMN1; SMN2
SCHEMBL1345985 0.72 MAPT (0.47) HPGDMAPTSMN1; SMN2RAB9AATM

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
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 HTT 1845/4885HPGD 1528/4885TSHR 3960/4885

“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.