SCHEMBL7937677

SCHEMBL7937677

O=C(CS)Nc1ccc(Br)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
HTT P42858 3/20 0.55
LMNA P02545 2/20 0.55
APOBEC3A P31941 2/20 0.54
APOBEC3G Q9HC16 2/20 0.54
RGS12 O14924 1/20 0.54
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
PKM P14618 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL4261842 0.85 MAPK1 (0.56) MAPK1HTTLMNAAPOBEC3AAPOBEC3G
SCHEMBL7931737 0.83 HPGD (0.60) LMNAKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL14780242 0.82 MAPK1 (0.54) MAPK1HTTLMNAAPOBEC3AAPOBEC3G
SCHEMBL6005485 0.81 ALDH1A1 (0.56) MAPK1HTTLMNAAPOBEC3AAPOBEC3G
SCHEMBL7820975 0.81 MAPK1 (0.66) MAPK1HTTLMNAAPOBEC3AAPOBEC3G
SCHEMBL7933341 0.80 NPC1 (0.58) HTTLMNAKMT2AL3MBTL1ALDH1A1
SCHEMBL7935570 0.80 ALDH1A1 (0.59) HTTLMNAKMT2AALDH1A1MEN1
SCHEMBL1509808 0.80 MAPT (0.51) KMT2AL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL24719726 0.80 KDM4E (0.52) MAPK1HTTLMNAAPOBEC3AAPOBEC3G
SCHEMBL1001852 0.80 MAPK1 (0.55) MAPK1HTTLMNAAPOBEC3AAPOBEC3G

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 MAPK1 4301/4885HTT 1082/4885LMNA 1805/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MAPK1 4679/4885HTT 2000/4885LMNA 1069/4885

“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.