SCHEMBL2560702

SCHEMBL2560702

O=C(O)C1CCN(c2ncc(-c3ccc4c(c3)OCCCO4)s2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
OGA O60502 4/20 0.42
TMPRSS15 P98073 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2574138 0.91 NPC1 (0.60) NPC1RAB9ASMN1; SMN2OGAL3MBTL1
SCHEMBL2571887 0.91 NPC1 (0.48) NPC1RAB9ASMN1; SMN2OGA
SCHEMBL2558256 0.87 KDM4E (0.52) NPC1RAB9ASMN1; SMN2TMPRSS15KDM4E
SCHEMBL12289998 0.87 NPC1 (0.43) NPC1RAB9ASMN1; SMN2OGAALDH1A1
SCHEMBL12289018 0.87 NPC1 (0.48) NPC1RAB9ASMN1; SMN2OGAALDH1A1
SCHEMBL2573211 0.86 NPC1 (0.65) NPC1RAB9ASMN1; SMN2OGAKDM4E
SCHEMBL2559451 0.86 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2OGAALDH1A1
SCHEMBL12291689 0.83 NPC1 (0.39) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12289483 0.82 NPC1 (0.52) NPC1RAB9ASMN1; SMN2OGAKDM4E
SCHEMBL2562292 0.82 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2OGAALDH1A1

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 NPC1 2811/4885RAB9A 1682/4885SMN1; SMN2 1/4885

“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.