SCHEMBL7931365

SCHEMBL7931365

O=C(CS)Nc1cc2c(cc1Br)-c1ccccc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
MAPT P10636 7/20 0.43
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
POLB P06746 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ESR1 P03372 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
PTPRC P08575 3/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL27823260 0.78 CYP1A2 (0.60) CYP1A2MAPTALDH1A1RAB9AMEN1
SCHEMBL7925084 0.77 MEN1 (0.66) CYP1A2MAPTALDH1A1RAB9AMEN1
SCHEMBL1679969 0.74 TERT (0.60) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL7929921 0.74 CYP1A2 (0.57) CYP1A2MAPTALDH1A1RAB9AMEN1
SCHEMBL7832297 0.73 PDK1 (0.60) CYP1A2
SCHEMBL24730390 0.73 PTPRC (0.59) CYP1A2MAPTALDH1A1RAB9AMEN1
SCHEMBL1679959 0.70 TERT (0.64) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL571761 0.69 MEN1 (0.63) CYP1A2MAPTALDH1A1RAB9AMEN1
SCHEMBL6629644 0.69 BCL2 (0.67) CYP1A2MAPTALDH1A1RAB9AMEN1
SCHEMBL5541185 0.69 TERT (0.57) CYP1A2MAPTALDH1A1RAB9AMEN1

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 CYP1A2 1547/4885MAPT 1781/4885ALDH1A1 496/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 CYP1A2 927/4885MAPT 2849/4885ALDH1A1 2213/4885

“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.