SCHEMBL16625614

SCHEMBL16625614

Cc1ccc(NC(=O)c2cccnc2NCC2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.61
KDM4E B2RXH2 4/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MAPT P10636 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
AHR P35869 1/20 0.47
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RET P07949 1/20 0.46

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
SCHEMBL15528863 0.87 KDM4E (0.57) KDRKDM4ENPC1RAB9AMAPT
SCHEMBL18049014 0.86 KDR (0.64) KDRKDM4EMAPTMEN1KMT2A
SCHEMBL31678687 0.80 KDM4E (0.46) KDRKDM4ELMNAGAAALDH1A1
SCHEMBL10017975 0.80 CTSS (0.50) KDRKDM4EMAPTMEN1KMT2A
SCHEMBL16625606 0.79 KDR (0.69) KDRKDM4ENPC1RAB9ACASP3
SCHEMBL5859584 0.78 HTT (0.54) KDM4ELMNAHTTTDP1L3MBTL1
SCHEMBL2713154 0.78 KDM4E (0.59) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL16625628 0.77 KDR (0.84) KDRKDM4EMAPTMEN1KMT2A
SCHEMBL18070919 0.77 KDR (0.63) KDRKDM4EMAPTMEN1KMT2A
SCHEMBL18070971 0.77 KDR (0.63) KDRKDM4EMAPTMEN1KMT2A

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 3133/4885NPC1 2328/4885

“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.