SCHEMBL2557161

SCHEMBL2557161

CN(C)c1cccc(-c2cc(N3CCC(C(N)=O)CC3)ncn2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
ITGB2 P05107 3/20 0.51
ICAM1 P05362 3/20 0.51
ITGAL P20701 3/20 0.51
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
PKM P14618 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
LMNA P02545 1/20 0.43
DPP4 P27487 1/20 0.43

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
SCHEMBL12289499 0.89 SMN1; SMN2 (0.51) SMN1; SMN2ITGB2ICAM1ITGALJAK2
SCHEMBL2558008 0.81 SMN1; SMN2 (0.66) SMN1; SMN2JAK2JAK3KDM4EALDH1A1
SCHEMBL2560486 0.80 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EALDH1A1HSD17B10TDP1
SCHEMBL2573220 0.80 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL2553912 0.80 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL2554399 0.79 SMN1; SMN2 (0.61) SMN1; SMN2
SCHEMBL2559606 0.78 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1
SCHEMBL2554131 0.76 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL21433929 0.75 KDM4E (0.62) SMN1; SMN2ITGB2ICAM1ITGALJAK2
SCHEMBL2573646 0.74 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EALDH1A1MAPTHSD17B10

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 SMN1; SMN2 1/4885ITGB2 3504/4885ICAM1 4708/4885

“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.