SCHEMBL7932243

SCHEMBL7932243

Cc1ccc(C(NC(=O)CS)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL7923982 0.81 KCNN4 (0.41) MAPTPOLBHDAC1HDAC6
SCHEMBL4281634 0.71 POLB (0.73) MAPTPOLBALDH1A1TDP1HDAC1
SCHEMBL21095368 0.71 KIF11 (0.57)
SCHEMBL21096128 0.69 KIF11 (0.61)
SCHEMBL11273798 0.67 GAA (0.50) RAB9APOLBALDH1A1GAALMNA
SCHEMBL11272205 0.67 NPC1 (0.50) NPC1RAB9AALDH1A1HDAC1HDAC6
SCHEMBL8445933 0.67 HPGD (0.49) NPC1RAB9AMAPTPOLBHPGD
SCHEMBL7932470 0.66 L3MBTL1 (0.54) HPGDALDH1A1LMNA
SCHEMBL11264090 0.64 MMP1 (0.53) NPC1HPGDHDAC1HDAC6
SCHEMBL2488822 0.64 MMP13 (0.42) NPC1RAB9AMAPTPOLBALDH1A1

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 NPC1 428/4885RAB9A 3098/4885MAPT 1781/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 NPC1 4147/4885RAB9A 1619/4885MAPT 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.