SCHEMBL7933341

SCHEMBL7933341

O=C(CS)Nc1ccc(Br)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
GRK2 P25098 1/20 0.58
RECQL P46063 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
PKM P14618 2/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 4/20 0.55
RAB9A P51151 2/20 0.55
MAPT P10636 5/20 0.53
POLB P06746 2/20 0.53
GAA P10253 3/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL1762219 0.85 NPC1 (0.59) NPC1SMN1; SMN2TDP1L3MBTL1GRK2
SCHEMBL23973932 0.83 NPC1 (0.58) NPC1SMN1; SMN2TDP1L3MBTL1GRK2
SCHEMBL12069248 0.83 NPC1 (0.58) NPC1SMN1; SMN2TDP1L3MBTL1GRK2
SCHEMBL4254896 0.83 RAB9A (0.59) NPC1SMN1; SMN2TDP1L3MBTL1PKM
SCHEMBL6004945 0.81 SMN1; SMN2 (0.63) NPC1SMN1; SMN2TDP1L3MBTL1GRK2
SCHEMBL7935570 0.80 ALDH1A1 (0.59) NPC1SMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL7937677 0.80 MAPK1 (0.55) NPC1SMN1; SMN2L3MBTL1CTDSP1PKM
SCHEMBL31642790 0.80 THRB (0.66) NPC1SMN1; SMN2TDP1L3MBTL1GRK2
SCHEMBL2491853 0.79 LMNA (0.66) NPC1SMN1; SMN2TDP1L3MBTL1GRK2
SCHEMBL31241113 0.78 POLB (0.68) NPC1SMN1; SMN2TDP1L3MBTL1GRK2

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 428/4885SMN1; SMN2 313/4885TDP1 1941/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 NPC1 4147/4885SMN1; SMN2 120/4885TDP1 2088/4885

“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.