SCHEMBL2557793

SCHEMBL2557793

Brc1ccc(-c2csc(N3CCCCC3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 1.00
SMN1; SMN2 Q16637 9/20 1.00
NPC1 O15118 7/20 0.74
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
MAPT P10636 5/20 0.74
MAPK1 P28482 2/20 0.74
LMNA P02545 1/20 0.74
AR P10275 6/20 0.72
TP53 P04637 1/20 0.72
ALOX15 P16050 1/20 0.72
HSD17B10 Q99714 1/20 0.72
ESR1 P03372 1/20 0.65
HTT P42858 1/20 0.65
POLB P06746 2/20 0.64
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP2D6 P10635 1/20 0.61

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
SCHEMBL12288921 1.00 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL12289927 0.86 RAB9A (0.76) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL2560440 0.85 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL2556201 0.85 RAB9A (0.74) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3771969 0.84 L3MBTL1 (0.76) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3004754 0.84 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL19051389 0.84 AR (0.77) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL17266249 0.84 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL3770523 0.83 L3MBTL1 (0.74) RAB9ASMN1; SMN2NPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL3765827 0.83 L3MBTL1 (0.74) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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 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.