SCHEMBL2558385

SCHEMBL2558385

O=C(C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1)N1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.69
RAB9A P51151 12/20 0.69
NPC1 O15118 9/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
MAPK1 P28482 3/20 0.69
LMNA P02545 2/20 0.69
MAPT P10636 2/20 0.69
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.58
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
AR P10275 3/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL14859906 0.89 SMN1; SMN2 (0.72) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2557158 0.87 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2557611 0.83 SMN1; SMN2 (0.80) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2560440 0.83 RAB9A (1.00) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2557908 0.82 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2555791 0.79 SMN1; SMN2 (0.73) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2558696 0.79 SMN1; SMN2 (0.73) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2559199 0.78 SMN1; SMN2 (0.72) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL12291635 0.78 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3081074 0.77 CNR2 (0.69) SMN1; SMN2RAB9ANPC1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096160-A1 ARYLTHIAZOLYL PIPERIDINES AND RELATED COMPOUNDS AS MODULATORS OF SURVIVAL MOTOR NEURON (SMN) PROTEIN PRODUCTION SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-04-18 US claimed
WO-2011130515-A1 ARYLTHIAZOLYL PIPERIDINES AND RELATED COMPOUNDS AS MODULATORS OF SURVIVAL MOTOR NEURON (SMN) PROTEIN PRODUCTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-10-20 WO claimed
US-20130096160-A1 ARYLTHIAZOLYL PIPERIDINES AND RELATED COMPOUNDS AS MODULATORS OF SURVIVAL MOTOR NEURON (SMN) PROTEIN PRODUCTION SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-04-18 US disclosed
US-20130096160-A1 ARYLTHIAZOLYL PIPERIDINES AND RELATED COMPOUNDS AS MODULATORS OF SURVIVAL MOTOR NEURON (SMN) PROTEIN PRODUCTION SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-04-18 US disclosed
US-20130096160-A1 ARYLTHIAZOLYL PIPERIDINES AND RELATED COMPOUNDS AS MODULATORS OF SURVIVAL MOTOR NEURON (SMN) PROTEIN PRODUCTION SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-04-18 US disclosed
WO-2011130515-A1 ARYLTHIAZOLYL PIPERIDINES AND RELATED COMPOUNDS AS MODULATORS OF SURVIVAL MOTOR NEURON (SMN) PROTEIN PRODUCTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-10-20 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 (1 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-20130096160-A1 ARYLTHIAZOLYL PIPERIDINES AND RELATED COMPOUNDS AS MODULATORS OF SURVIVAL MOTOR NEURON (SMN) PROTEIN PRODUCTION SMN1; SMN2, MTPN, MORF4L1 SMN1; SMN2 1/4885RAB9A 1682/4885NPC1 2811/4885

“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.