SCHEMBL13395589

SCHEMBL13395589

CCOC(=O)c1[nH]c2ccc3c(c2c1I)OC(F)(F)O3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 5/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GAA P10253 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HCRTR1 O43613 1/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ TUBB4A P04350 2/20 0.35
▸ TUBB P07437 2/20 0.35
▸ TUBA3C P0DPH7 2/20 0.35
▸ TUBA1B P68363 2/20 0.35
▸ TUBA4A P68366 2/20 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
SCHEMBL13395591 0.75 ALDH1A1 (0.37) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL13395586 0.75 ALDH1A1 (0.48) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL13395661 0.75 ALDH1A1 (0.38) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL13395478 0.75 KDM4E (0.44) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL12228533 0.73 MAP2 (0.43) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL8253165 0.72 KDM4E (0.43) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL13395470 0.70 KDM4E (0.41) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL13395566 0.70 KDM4E (0.41) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL12388700 0.69 KDM4E (0.41) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL26213303 0.68 KMT2A (0.56) KDM4EALDH1A1HPGDNPC1MAPT

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 KDM4E 405/4885ALDH1A1 248/4885HPGD 1986/4885

“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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