SCHEMBL805062

SCHEMBL805062

CCc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
GAA P10253 1/20 0.60
RAB9A P51151 7/20 0.59
NPC1 O15118 6/20 0.59
LMNA P02545 6/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 2/20 0.51
LTA4H P09960 1/20 0.50
MAPK1 P28482 2/20 0.49
SREBF2 Q12772 1/20 0.49
ABL1 P00519 1/20 0.49
CYP19A1 P11511 1/20 0.49

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
SCHEMBL13064219 0.86 RAB9A (0.60) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL12323120 0.84 RAB9A (0.62) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL19566850 0.84 RAB9A (0.49) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL22825216 0.83 ADRB3 (0.45) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9195091 0.82 LTA4H (0.58) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7185130 0.82 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2220623 0.82 LOXL2 (0.51) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2515676 0.82 RAB9A (0.58) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL12432986 0.82 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL201471 0.82 MEN1 (0.65) MAPTALDH1A1MEN1KMT2AL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 US disclosed
US-8026195-B2 Fungicidal N-cycloalkyl-carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2011-09-27 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-20090326016-A1 FUNGICIDAL N-CYCLOALKYL-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-12-31 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US 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 (3 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-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 MAPT 2141/4885ALDH1A1 1032/4885MEN1 4856/4885
US-20090326016-A1 FUNGICIDAL N-CYCLOALKYL-CARBOXAMIDE DERIVATIVES CBR3, CBR1, CYCS MAPT 3996/4885ALDH1A1 1961/4885MEN1 4121/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 MAPT 2141/4885ALDH1A1 1032/4885MEN1 4856/4885

“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.