SCHEMBL13159147

SCHEMBL13159147

O=c1nc(N2CCCCC2)sc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 6/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.45
MIF P14174 1/20 0.43
GABRA1 P14867 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 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
SCHEMBL18091084 0.86 KDM4E (0.47) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL6126431 0.85 SCN4A (0.48) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL15257837 0.85 HRH4 (0.49) RAB9ASMN1; SMN2NPC1TSHRLMNA
SCHEMBL13159124 0.85 MAPT (0.57) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL13159141 0.79 RAB9A (0.68) RAB9ANPC1HPGDLMNAALDH1A1
SCHEMBL7217567 0.77 RAB9A (0.71) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL11783793 0.77 RAB9A (0.71) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL13159118 0.76 LMNA (0.44) SMN1; SMN2HPGDTSHRL3MBTL1LMNA
SCHEMBL2960845 0.76 MIF (0.54) L3MBTL1LMNAPOLBMIFGABRA1
SCHEMBL8526236 0.75 RAB9A (0.73) RAB9ASMN1; SMN2NPC1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 US disclosed
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 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-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 RAB9A 3782/4885SMN1; SMN2 4197/4885NPC1 1639/4885

“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.