SCHEMBL6488869

SCHEMBL6488869

O=Cc1c(-c2ccccc2)[nH]c2cnccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
IKBKB O14920 1/20 0.51
AURKA O14965 1/20 0.51
CHUK O15111 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PIM1 P11309 1/20 0.51
TOP1 P11387 1/20 0.51
GABRA1 P14867 1/20 0.51
IDO1 P14902 1/20 0.51
HPGD P15428 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51

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
SCHEMBL29951958 0.83 MAPK14 (0.51) SMN1; SMN2KDM4EGABRPGABRDIKBKB
SCHEMBL2062446 0.83 MAPK14 (0.51) SMN1; SMN2KDM4EGABRPGABRDIKBKB
2-Phenyl-1H-Indole-3-Carbaldehyde SCHEMBL1429713 0.82 ESR1 (0.55) SMN1; SMN2ALDH1A1HPGDMEN1MAPT
SCHEMBL7808349 0.82 CYP11B1 (0.61) SMN1; SMN2KDM4EGABRPGABRDIKBKB
SCHEMBL29954680 0.82 CYP11B1 (0.61) SMN1; SMN2KDM4EGABRPGABRDIKBKB
SCHEMBL3598893 0.79 ERN1 (0.47) SMN1; SMN2AURKAPIM1HPGDCNR1
SCHEMBL3841034 0.78 ESR1 (0.65) SMN1; SMN2KDM4EGABRPGABRDIKBKB
SCHEMBL1777845 0.77 ADORA2A (0.50) SMN1; SMN2AURKAPARP1CNR1IMPDH2
SCHEMBL16294882 0.76 MAP2 (0.58) SMN1; SMN2KDM4EGABRPGABRDIKBKB
SCHEMBL29956795 0.74 CHUK (0.47) SMN1; SMN2KDM4EGABRPGABRDIKBKB

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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 SMN1; SMN2 3783/4885KDM4E 756/4885GABRP 3483/4885

“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.