SCHEMBL7215441

SCHEMBL7215441

CSc1ccc2nnnn2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 2/20 0.49
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.39
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DYRK3 O43781 2/20 0.31
CCNT1 O60563 2/20 0.31

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
SCHEMBL11120846 0.77 SMN1; SMN2 (0.54) SMN1; SMN2HTTMAPTKMT2ACYP1A2
SCHEMBL10404495 0.74 SMN1; SMN2 (0.51) SMN1; SMN2HTTMAPTKMT2ACYP1A2
SCHEMBL10401995 0.73 SMN1; SMN2 (0.50) SMN1; SMN2HTTMAPTKMT2ACYP1A2
SCHEMBL10404496 0.73 SMN1; SMN2 (0.50) SMN1; SMN2HTTMAPTKMT2ACYP1A2
SCHEMBL8625317 0.69 HTT (0.49) SMN1; SMN2HTTMAPTKMT2ACYP1A2
SCHEMBL9443430 0.69 HTT (0.49) SMN1; SMN2HTTMAPTKMT2ACYP1A2
SCHEMBL3986769 0.69 HTT (0.49) SMN1; SMN2HTTMAPTKMT2ACYP1A2
SCHEMBL10490611 0.69 DYRK3 (0.37) SMN1; SMN2HTTMAPTKMT2ACYP1A2
SCHEMBL11330613 0.69 HTT (0.49) SMN1; SMN2HTTMAPTKMT2ACYP1A2
SCHEMBL3894870 0.69 HTT (0.53) SMN1; SMN2HTTMAPTKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4492692-A BACTERICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 US claimed
US-4267176-A Amino or acylamino-substituted pyrimidinyl cephalosporanic acid derivatives and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY 2003-09-04 US disclosed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 EP disclosed
US-4492692-A BACTERICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 US disclosed
US-4346076-A Bis-tetrazoylmethyl substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP disclosed
EP-0048169-A2 Bis-tetrazoylmethyl substituted cephalosporin antibiotics, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1982-03-24 EP disclosed
US-4048161-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-09-13 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-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS MMP1, MMP8, HRH3 SMN1; SMN2 3029/4885HTT 1045/4885MAPT 4826/4885

“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.