SCHEMBL6867314

SCHEMBL6867314

O=C1NC(=O)C2=C1c1c([nH]c3ccccc13)CCCCCc1[nH]c3ccccc3c1C1=C(C(=O)NC1=O)N1CCN2CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PARP1 P09874 3/20 0.41
PRKCB P05771 3/20 0.41
PRKCA P17252 3/20 0.41
PRKCH P24723 3/20 0.41
PRKCE Q02156 3/20 0.41
PRKCQ Q04759 3/20 0.41
PRKCD Q05655 3/20 0.41
CDK4 P11802 6/20 0.40
CCND1 P24385 6/20 0.40
GSK3B P49841 1/20 0.39
CCNE2 O96020 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
PRKD3 O94806 1/20 0.38
CCNB2 O95067 1/20 0.38

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
SCHEMBL6867238 0.92 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1PARP1PRKCB
SCHEMBL6866361 0.91 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1PARP1PRKCB
SCHEMBL6865204 0.90 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1PARP1PRKCB
SCHEMBL6871060 0.88 PARP1 (0.39) SMN1; SMN2KDM4EALDH1A1PARP1PRKCB
SCHEMBL6869694 0.88 PRKCB (0.39) SMN1; SMN2KDM4EALDH1A1PARP1PRKCB
SCHEMBL6867242 0.87 PARP1 (0.38) SMN1; SMN2KDM4EALDH1A1PARP1PRKCB
SCHEMBL6867963 0.86 PRKCB (0.39) SMN1; SMN2KDM4EALDH1A1PARP1PRKCB
SCHEMBL7001489 0.81 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1GSK3BMAPT
SCHEMBL6866221 0.81 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1GSK3BMAPT
SCHEMBL6860148 0.77 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1PRKCBPRKCA

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-6812243-B2 AS TYROSINE KINASE INHIBITORS; FOR THERARPY OF TUMORS, ARTERIOSCLEROSIS, RESTENOSIS AFTER BALLOON ANGIOPLASTY, ARTHRITIS AND FIBROTIC DISEASES ZENTARIS AG (DE) 2004-11-02 US disclosed
US-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation ZENTARIS AG (DE) 2003-01-09 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-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation MKI67, IDO1, CCNI SMN1; SMN2 3404/4885KDM4E 1497/4885ALDH1A1 952/4885

“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.