SCHEMBL16690122

SCHEMBL16690122

O=[N+]([O-])c1ccccc1NCCN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.56
MAPT P10636 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DRD3 P35462 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
HTT P42858 2/20 0.49
LTA4H P09960 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 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
SCHEMBL5550215 0.99 KAT2B (0.55) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14960166 0.91 KAT2B (0.53) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11712746 0.90 KAT2B (0.59) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL737318 0.87 MEN1 (0.62) KAT2BMAPTRAB9AALDH1A1MEN1
SCHEMBL23908182 0.82 MEN1 (0.51) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6232184 0.82 MAPT (0.68) MAPTRAB9ASMN1; SMN2HRH3ALDH1A1
SCHEMBL11715381 0.81 HTT (0.60) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2326316 0.81 PKM (0.61) MAPTRAB9ASMN1; SMN2SIGMAR1HRH3
SCHEMBL17678159 0.81 MAPT (0.52) MAPTRAB9ASIGMAR1HRH3HTT
SCHEMBL9725493 0.81 MEN1 (0.56) MAPTSMN1; SMN2HRH3ALDH1A1MEN1

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-20170183313-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LTD (IE) 2017-06-29 US disclosed
US-20150126553-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2015-05-07 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 (2 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-20150126553-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NFATC1, RORC, ICOS KAT2B 1157/4885MAPT 3458/4885NPC1 4415/4885
US-20170183313-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NFATC1, RORC, ICOS KAT2B 1131/4885MAPT 3455/4885NPC1 4389/4885

“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.