SCHEMBL16625606

SCHEMBL16625606

CCCNc1ncccc1C(=O)Nc1ccc(C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.69
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MAPT P10636 8/20 0.60
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
LMNA P02545 1/20 0.60
GLA P06280 1/20 0.60
HTT P42858 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
GAA P10253 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57

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
SCHEMBL15529202 0.86 KDM4E (0.65) KDRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL18979212 0.86 KDM4E (0.65) KDRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16625626 0.85 MEN1 (0.84) KDRKDM4EALDH1A1HPGDMAPT
SCHEMBL16625628 0.82 KDR (0.84) KDRKDM4EALDH1A1MAPTMEN1
SCHEMBL447950 0.81 KDR (1.00) KDRKDM4E
SCHEMBL14368225 0.79 KDM4E (0.64) KDRKDM4EALDH1A1HSD17B10MAPT
SCHEMBL16625600 0.79 MEN1 (0.84) KDRKDM4EALDH1A1HSD17B10MAPT
SCHEMBL16625614 0.79 KDR (0.61) KDRKDM4EALDH1A1MAPTMEN1
SCHEMBL8298649 0.79 KDM4E (0.60) KDRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8826118 0.78 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10MAPT

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-20150099758-A1 Alpha 7 Nicotinic Acetylcholine Receptor Allosteric Modulators, Their Derivatives and Uses Thereof ANVYL LLC (US) 2015-04-09 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-20150099758-A1 Alpha 7 Nicotinic Acetylcholine Receptor Allosteric Modulators, Their Derivatives and Uses Thereof CHRNA7, CHRNA1, CHRNA2 KDR 4467/4885KDM4E 3133/4885ALDH1A1 2093/4885

“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.