SCHEMBL6870547

SCHEMBL6870547

CN1C(=O)C2=C(C1=O)N1CCC(CC1)C1CCN(CC1)C1=C(C(=O)N(C)C1=O)c1c([nH]c3ccccc13)CCCCCCCCCCCCc1[nH]c3ccccc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
MCHR1 Q99705 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
GSK3B P49841 1/20 0.35
CHRNA7 P36544 1/20 0.35
TP53 P04637 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
ATM Q13315 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6864980 1.00 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6864514 0.99 KDM4E (0.40) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6860208 0.97 KDM4E (0.37) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6870480 0.93 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6864581 0.93 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6865004 0.93 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6860237 0.93 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6871061 0.93 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6868007 0.93 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7001489 0.92 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD

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 3 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
US-6407102-B1 TYROSINE KINASE AND PLATELET-DERIVED GROWTH FACTOR INHIBITORS; ANTICARCINOGENIC, ANTITUMOR, ANTIARTHRITIC AND ANTIPROLIFERATIVE AGENTS; RESTENOSIS, ARTERIOSCLEROSIS ZENTARIS AG (DE) 2002-06-18 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.