SCHEMBL6864581

SCHEMBL6864581

CN1C(=O)C2=C(C1=O)N1CCC(CCCCCCC3CCN(CC3)C3=C(C(=O)N(C)C3=O)c3c([nH]c4ccccc34)CCCCCCCCCCCCc3[nH]c4ccccc4c32)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RB1 P06400 2/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
ATM Q13315 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL6871061 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6870480 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6865623 0.98 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6865004 0.98 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6866820 0.98 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6860237 0.98 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6868007 0.96 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6870465 0.95 KDM4E (0.38) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6871066 0.95 KDM4E (0.36) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6860091 0.93 KDM4E (0.36) 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
EP-1109785-B1 INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MALIGNANT AND OTHER DISEASES CAUSED BY PATHOLOGICAL CELL PROLIFERATION ZENTARIS AG (DE) 2003-01-02 EP 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.