SCHEMBL799529

SCHEMBL799529

Cc1ccc2sc(Cl)nc2c1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD11B1 P28845 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2A6 P11509 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL7836861 0.84 ALDH1A1 (0.47) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL1747925 0.76 ALDH1A1 (0.61) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL14127131 0.76 ALDH1A1 (0.61) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL780216 0.76 ALDH1A1 (0.65) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL8085492 0.71 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL9527657 0.69 ALDH1A1 (0.41) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL6984166 0.68 MAPT (0.44) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL10591137 0.68 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2035753 0.68 MEN1 (0.51) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL11337728 0.68 HSD17B10 (0.61) ALDH1A1KMT2ANPC1RAB9AMEN1

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-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 US disclosed
US-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2014-11-20 US disclosed
US-8822472-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2014-09-02 US disclosed
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 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-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA2 ALDH1A1 1032/4885KMT2A 3473/4885NPC1 1706/4885
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 ALDH1A1 1032/4885KMT2A 3473/4885NPC1 1706/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 ALDH1A1 814/4885KMT2A 4008/4885NPC1 2069/4885

“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.