SCHEMBL13395586

SCHEMBL13395586

CCOC(=O)c1cc2c3c(ccc2[nH]1)OC(F)(F)O3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.48
▸ KDM4E B2RXH2 7/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ HPGD P15428 6/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ NPC1 O15118 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ MMP13 P45452 6/20 0.44
▸ MMP2 P08253 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ HCRTR1 O43613 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL5622542 0.76 KDM4E (0.56) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL13395589 0.75 KDM4E (0.41) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL6739125 0.75 KDM4E (0.58) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL13684586 0.75 KDM4E (0.55) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL7954222 0.73 ALOX15 (0.57) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL5622391 0.73 KDM4E (0.55) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL5780732 0.73 KDM4E (0.56) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL4404148 0.73 KDM4E (0.56) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL13395659 0.73 KDM4E (0.47) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL3030922 0.72 RAB9A (0.46) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — 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-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L ALDH1A1 248/4885KDM4E 405/4885RAB9A 1341/4885

“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.

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