SCHEMBL7936040

SCHEMBL7936040

O=C(CS)Nc1ncc(Cl)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
FFAR2 O15552 2/20 0.46
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK10 P53779 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 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
SCHEMBL5839769 0.83 ALOX15 (0.49) ALOX15FFAR2MAPTALDH1A1LMNA
SCHEMBL5837008 0.80 SMN1; SMN2 (0.56) ALOX15FFAR2ALDH1A1LMNASMN1; SMN2
SCHEMBL7932791 0.79 SMN1; SMN2 (0.60) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL21578016 0.79 KDM4E (0.60) ALOX15FFAR2ALDH1A1MEN1KMT2A
SCHEMBL16086080 0.78 ALOX15 (0.54) ALOX15FFAR2MAPTSMN1; SMN2RAB9A
SCHEMBL27545748 0.77 ALOX15 (0.53) ALOX15FFAR2MAPTSMN1; SMN2RAB9A
SCHEMBL966406 0.77 ALOX15 (0.53) ALOX15FFAR2MAPTLMNAMEN1
SCHEMBL5835745 0.76 MAPT (0.50) ALOX15FFAR2MAPTALDH1A1LMNA
SCHEMBL29003794 0.75 MAPT (0.55) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL28089066 0.74 FFAR2 (0.50) ALOX15FFAR2MAPTALDH1A1SMN1; 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 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 ALOX15 427/4885FFAR2 4234/4885MAPT 1781/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALOX15 579/4885FFAR2 1775/4885MAPT 2849/4885

“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.