SCHEMBL7932170

SCHEMBL7932170

O=C(CS)NCc1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
GAA P10253 1/20 0.58
POLB P06746 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
ERCC1 P07992 1/20 0.53
ERCC4 Q92889 1/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL16082991 0.82 ALDH1A1 (0.83) KMT2AMEN1CYP2C9CYP2C19ALDH1A1
SCHEMBL10692807 0.82 KMT2A (0.68) KMT2AMEN1CYP2C9CYP2C19ALDH1A1
SCHEMBL4035227 0.82 KMT2A (0.68) KMT2AMEN1CYP2C9CYP2C19ALDH1A1
SCHEMBL4867580 0.81 LMNA (0.68) KMT2AALDH1A1HPGDRAB9APOLB
SCHEMBL23565002 0.81 KMT2A (0.66) KMT2AMEN1CYP2C9CYP2C19ALDH1A1
SCHEMBL4586604 0.81 KMT2A (0.66) KMT2AMEN1CYP2C9CYP2C19ALDH1A1
SCHEMBL1709315 0.81 HPGD (0.70) KMT2AMEN1CYP2C9CYP2C19ALDH1A1
SCHEMBL31248356 0.81 CYP2C9 (0.67) KMT2AMEN1CYP2C9CYP2C19ALDH1A1
SCHEMBL7932262 0.81 TACR1 (0.55) KMT2AMEN1CYP2C9CYP2C19ALDH1A1
SCHEMBL7937579 0.80 TSHR (0.63) KMT2AMEN1ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 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 (2 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 KMT2A 799/4885MEN1 938/4885CYP2C9 3518/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KMT2A 3093/4885MEN1 1392/4885CYP2C9 1788/4885

“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.