SCHEMBL10064150

SCHEMBL10064150

Cn1c(CCNCl)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
RECQL P46063 1/20 0.60
TSHR P16473 1/20 0.59
MAPT P10636 2/20 0.57
HDAC6 Q9UBN7 1/20 0.57
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
PDE10A Q9Y233 2/20 0.56
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL19265679 0.85 ALDH1A1 (0.62) ALDH1A1RECQLTSHRMAPTHDAC6
SCHEMBL8290247 0.82 ALDH1A1 (0.43) ALDH1A1RECQLTSHRNPC1RAB9A
SCHEMBL21200181 0.81 NPC1 (0.73) ALDH1A1RECQLTSHRMAPTHDAC6
SCHEMBL14050118 0.81 MAPT (0.76) ALDH1A1RECQLTSHRMAPTHDAC6
SCHEMBL3640134 0.80 LMNA (0.64) ALDH1A1TSHRMAPTHDAC6NPC1
SCHEMBL17050825 0.79 ALDH1A1 (0.74) ALDH1A1RECQLTSHRMAPTHDAC6
Iodide SCHEMBL3451153 0.78 LMNA (0.62) ALDH1A1TSHRMAPTHDAC6NPC1
SCHEMBL4728786 0.78 HDAC6 (0.67) ALDH1A1RECQLTSHRMAPTHDAC6
SCHEMBL17933573 0.78 MAPT (0.62) ALDH1A1RECQLTSHRMAPTHDAC6
Iodide SCHEMBL3451154 0.78 LMNA (0.62) ALDH1A1TSHRMAPTHDAC6NPC1

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-20120028975-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND ANALOGS THEREOF SCHERING CORPORATION 2012-02-02 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-20120028975-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND ANALOGS THEREOF PDE2A, PDE5A, PDE4A ALDH1A1 718/4885RECQL 881/4885TSHR 2271/4885

“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.