SCHEMBL566607

SCHEMBL566607

Cn1cc(C(=O)NCc2ccc3c(c2)CCNC3)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
LMNA P02545 4/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 2/20 0.42
NR4A2 P43354 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
CREBBP Q92793 1/20 0.41
MITF O75030 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL167070 0.80 MEN1 (0.49) HDAC1HDAC2LMNAROCK2ALDH1A1
SCHEMBL31420663 0.73 PLAU (0.46) ROCK2
SCHEMBL9158553 0.71 NR4A2 (0.63) BRD4HDAC1HDAC2LMNAALDH1A1
SCHEMBL23940250 0.71 BRD4 (0.71) BRD4HDAC1HDAC2LMNABCHE
SCHEMBL27249468 0.69 KDM4E (0.61) BRD4LMNAALDH1A1KMT2A
SCHEMBL1093252 0.69 BRD4 (0.69) BRD4HDAC1HDAC2LMNAALDH1A1
SCHEMBL7364339 0.69 HTR3A (0.67) BRD4HDAC1HDAC2LMNAALDH1A1
SCHEMBL29846680 0.69 HDAC1 (0.48) BRD4HDAC1HDAC2LMNABCHE
SCHEMBL16644162 0.69 TP53 (0.72) ALDH1A1TP53THRBMAPTKMT2A
SCHEMBL28968558 0.69 HDAC1 (0.58) BRD4HDAC1HDAC2LMNABCHE

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-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE MSD K.K. (JP) 2012-02-09 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-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE HTR1F, HTR3C, HTR6 BRD4 110/4885HDAC1 708/4885HDAC2 378/4885

“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.