SCHEMBL2559698

SCHEMBL2559698

COc1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 3/20 0.51
NEK2 P51955 1/20 0.51
NPC1 O15118 1/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
KMT2A Q03164 2/20 0.45
MLYCD O95822 1/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL2560259 0.92 LMNA (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL2554484 0.89 RAB9A (0.63) SMN1; SMN2RAB9ANEK2NPC1ALDH1A1
SCHEMBL12288923 0.88 PDE4A (0.50) SMN1; SMN2RAB9ANPC1PDE4APDE4B
SCHEMBL2554226 0.86 NEK2 (0.52) SMN1; SMN2RAB9ANEK2NPC1MAPT
SCHEMBL2554416 0.84 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1LMNAPDE4A
SCHEMBL2554131 0.83 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1LMNAMLYCD
SCHEMBL2559639 0.83 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1LMNAPDE4A
SCHEMBL12291678 0.82 LMNA (0.49) SMN1; SMN2RAB9ANEK2NPC1ALDH1A1
SCHEMBL2554015 0.82 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1LMNAMLYCD
SCHEMBL2553718 0.81 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1LMNAMAPK1

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-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
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 1682/4885NEK2 1655/4885

“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.