SCHEMBL13320198

SCHEMBL13320198

[2H]C([2H])([2H])c1ccc2[nH]c3c(c2c1)CNCC3

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.60
RAD52 P43351 1/20 0.58
KMT2A Q03164 1/20 0.58
TAAR1 Q96RJ0 1/20 0.55
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
RECQL P46063 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
PARP1 P09874 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR5A P47898 1/20 0.42

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
SCHEMBL2980510 0.89 SIRT2 (0.72) SIRT2RAD52KMT2ATAAR1LMNA
Hydrochloric Acid SCHEMBL11840237 0.88 SIRT2 (0.71) SIRT2RAD52KMT2ATAAR1LMNA
SCHEMBL2301247 0.81 SIRT2 (0.61) SIRT2RAD52KMT2ATAAR1LMNA
Hydrochloric Acid SCHEMBL31117467 0.80 SIRT2 (0.76) SIRT2RAD52KMT2ATAAR1LMNA
SCHEMBL2241172 0.78 RAD52 (0.59) SIRT2RAD52KMT2ATAAR1LMNA
SCHEMBL30228634 0.77 TAAR1 (0.59) SIRT2RAD52KMT2ATAAR1LMNA
SCHEMBL2313213 0.77 TAAR1 (0.59) SIRT2RAD52KMT2ATAAR1LMNA
SCHEMBL7818620 0.77 LMNA (0.67) SIRT2RAD52KMT2ALMNACYP1A2
SCHEMBL31020972 0.77 SIRT2 (0.60) SIRT2RAD52KMT2ATAAR1PARP1
SCHEMBL2243566 0.77 PARP1 (0.67) SIRT2RAD52KMT2ATAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-20 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-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE GRIN3A, GRIK5, CHRNA5 SIRT2 2988/4885RAD52 3984/4885KMT2A 1198/4885

“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.