SCHEMBL7932228

SCHEMBL7932228

O=C(CS)Nc1ccncc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
IDH2 P48735 1/20 0.43
RAB9A P51151 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
KMT2A Q03164 1/20 0.40
NOTUM Q6P988 1/20 0.40
SSTR4 P31391 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL6361945 0.85 MAPK1 (0.45) LMNAMAPK1IDH2POLBGAA
SCHEMBL19308412 0.82 ALDH1A1 (0.50) LMNAMAPK1IDH2POLBGAA
SCHEMBL17980965 0.80 GAA (0.44) LMNAMAPK1IDH2NPC1POLB
SCHEMBL16596180 0.78 LMNA (0.55) LMNARAB9APOLBGAAALDH1A1
SCHEMBL5805358 0.78 POLB (0.65) MAPK1POLBGAAKMT2AALDH1A1
SCHEMBL12609252 0.73 RAB9A (0.62) LMNARAB9ANPC1GAATRPV1
SCHEMBL4182709 0.72 KCNJ11 (0.41) LMNAMAPK1IDH2RAB9ANPC1
SCHEMBL18328459 0.72 HPGD (0.55) LMNARAB9APOLBKMT2ANOTUM
SCHEMBL30986022 0.71 KMT2A (0.67) GAATRPV1KMT2A
SCHEMBL7932218 0.70 TAS2R14 (0.52) POLBGAAKMT2AALDH1A1

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 LMNA 1805/4885MAPK1 4301/4885IDH2 323/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 LMNA 1069/4885MAPK1 4679/4885IDH2 3850/4885

“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.