Sugi Predict

Sugi Predict / Compounds / SCHEMBL5776519

SCHEMBL5776519

SCHEMBL5776519

CSc1ccc(C=O)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ PRKDC P78527 1/20 0.46
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TYMS P04818 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ERN1 O75460 2/20 0.34
▸ TRIM24 O15164 1/20 0.34
▸ TRIM33 Q9UPN9 1/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ CGAS Q8N884 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ FGFR1 P11362 1/20 0.33

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
SCHEMBL21362601 0.80 PRKDC (0.41) ALDH1A1PRKDCLMNAMAPTHPGD
SCHEMBL16706976 0.79 LMNA (0.46) ALDH1A1PRKDCLMNAMAPTHPGD
SCHEMBL20607737 0.79 PRKDC (0.42) ALDH1A1PRKDCLMNAMAPTHPGD
SCHEMBL3143864 0.78 ALDH1A1 (0.48) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL2800253 0.78 ALDH1A1 (0.48) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL23754494 0.76 ALDH1A1 (0.47) ALDH1A1PRKDCMAPTHPGDKDM4E
SCHEMBL3148643 0.76 TDP1 (0.55) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL8322156 0.76 TYR (0.52) ALDH1A1PRKDCMCL1ERN1TRIM24
SCHEMBL31423173 0.76 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL2279052 0.74 TDP1 (0.44) ALDH1A1PRKDCLMNAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 — — US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 — — EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 — — US disclosed
EP-1395590-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-A]INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Merck Frosst Canada & Co. (CA) 2004-03-10 — — EP disclosed
WO-2002094830-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-a]-INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA & CO. (CA) 2002-11-28 — — WO 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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR ALDH1A1 860/4885PRKDC 4185/4885LMNA 4685/4885

“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.