SCHEMBL2574756

SCHEMBL2574756

NC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCCO4)s2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 2/20 0.61
HRH3 Q9Y5N1 7/20 0.46
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.42
S1PR1 P21453 1/20 0.42

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 0.82 NPC1 (0.60) RAB9ASMN1; SMN2NPC1MAPTATM
SCHEMBL2573365 0.80 SMN1; SMN2 (0.92) RAB9ASMN1; SMN2NPC1
SCHEMBL2573211 0.78 NPC1 (0.65) RAB9ASMN1; SMN2NPC1MAPTATM
SCHEMBL2557752 0.78 RAB9A (0.62) RAB9ASMN1; SMN2NPC1HRH3
SCHEMBL2571315 0.78 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2NPC1HRH3MAPT
SCHEMBL12244888 0.78 HRH3 (0.66) HRH3
SCHEMBL2575699 0.76 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NPC1
SCHEMBL2574773 0.75 NPC1 (0.58) RAB9ASMN1; SMN2NPC1MAPTATM
SCHEMBL2569614 0.74 NPC1 (0.55) RAB9ASMN1; SMN2NPC1MAPTATM
SCHEMBL2575519 0.74 NPC1 (0.60) RAB9ASMN1; SMN2NPC1MAPTATM

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 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

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