SCHEMBL1494693

SCHEMBL1494693

O=C(O)C1CCN(C(=O)c2cc3sccc3[nH]2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.67
DAO P14920 1/20 0.54
KMT2A Q03164 2/20 0.51
TSHR P16473 2/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.45
AKR1C3 P42330 2/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL603362 0.81 HRH4 (1.00) HRH4
SCHEMBL604553 0.81 HRH4 (0.74) HRH4DAOTSHRRAB9ANPC1
SCHEMBL12803717 0.77 AKR1C3 (0.67) HRH4SMN1; SMN2AKR1C3POLB
SCHEMBL16599352 0.75 HRH4 (0.65) HRH4DAOKMT2ARAB9ANPC1
SCHEMBL29621679 0.75 HRH4 (0.49) HRH4DAOTSHRRAB9ANPC1
SCHEMBL603983 0.74 HRH4 (0.65) HRH4DAOKMT2ATSHRRAB9A
SCHEMBL3842872 0.72 POLB (0.73) HRH4KMT2ARAB9ANPC1KDM4E
SCHEMBL15101474 0.72 MAPK1 (0.75) KMT2ATSHRSMN1; SMN2MAPTMEN1
SCHEMBL335632 0.71 DAO (1.00) HRH4DAOKMT2ATSHRRAB9A
SCHEMBL21632167 0.70 DAO (0.56) HRH4DAOTSHRRAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US claimed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 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-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM SHH, SMO, GLI1 HRH4 232/4885DAO 1427/4885KMT2A 1623/4885

“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.