SCHEMBL13159124

SCHEMBL13159124

O=c1nc(N2CCN(c3ccccc3)CC2)sc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
NPC1 O15118 6/20 0.57
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47

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
SCHEMBL15257837 0.85 HRH4 (0.49) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL13159147 0.85 RAB9A (0.52) MAPTNPC1LMNAL3MBTL1RAB9A
SCHEMBL13159141 0.82 RAB9A (0.68) MAPTNPC1LMNARAB9AALDH1A1
SCHEMBL6126431 0.82 SCN4A (0.48) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL18091084 0.78 KDM4E (0.47) MAPTNPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL2962364 0.77 MIF (0.52) MAPTNPC1LMNAL3MBTL1RAB9A
SCHEMBL13159114 0.75 DTYMK (0.53) MAPTNPC1LMNARAB9A
SCHEMBL13159122 0.70 MIF (0.40) MAPTNPC1LMNAL3MBTL1RAB9A
SCHEMBL13159118 0.69 LMNA (0.44) MAPTLMNAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL18641269 0.68 MAPT (0.77) MAPTNPC1LMNAL3MBTL1RAB9A

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 MAPT 4744/4885NPC1 1639/4885LMNA 513/4885

“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.