SCHEMBL1306444

SCHEMBL1306444

COc1cccc(N2CCN(CC#N)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.65
DRD2 P14416 2/20 0.65
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 2/20 0.56
TSHR P16473 1/20 0.56
ADRB1 P08588 1/20 0.55
NPC1 O15118 1/20 0.55
GFER P55789 1/20 0.54
HTR1A P08908 4/20 0.52
DRD4 P21917 1/20 0.52
IGF1R P08069 1/20 0.52

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
SCHEMBL27336394 0.86 DRD2 (0.70) KCNH2DRD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL4533761 0.83 KCNH2 (0.75) KCNH2DRD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL7149496 0.83 DRD2 (0.62) DRD2KDM4EALDH1A1MAPTADRB1
SCHEMBL11074672 0.82 ADRB1 (0.76) KCNH2DRD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL8353732 0.81 DRD2 (0.77) KCNH2DRD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL9287856 0.80 MTNR1B (0.56) DRD2KDM4EALDH1A1MAPTTSHR
SCHEMBL9449554 0.80 KCNH2 (0.70) KCNH2DRD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL2658773 0.80 ADRA2C (0.56) KCNH2DRD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL14340514 0.79 DRD2 (1.00) KCNH2DRD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL4525293 0.79 KCNH2 (1.00) KCNH2DRD2HTR1ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 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-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 KCNH2 4415/4885DRD2 2499/4885KDM4E 920/4885

“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.