SCHEMBL13209985

SCHEMBL13209985

COC(=O)c1[nH]c2ccc3ccccc3c2c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 3/20 0.45
▸ TUBB P07437 3/20 0.45
▸ TUBA3C P0DPH7 3/20 0.45
▸ TUBA1B P68363 3/20 0.45
▸ TUBA4A P68366 3/20 0.45
▸ TUBB4B P68371 3/20 0.45
▸ TUBB3 Q13509 3/20 0.45
▸ TUBB2A Q13885 3/20 0.45
▸ TUBB8 Q3ZCM7 3/20 0.45
▸ TUBA3E Q6PEY2 3/20 0.45
▸ TUBA1A Q71U36 3/20 0.45
▸ TUBA1C Q9BQE3 3/20 0.45
▸ TUBB6 Q9BUF5 3/20 0.45
▸ TUBB2B Q9BVA1 3/20 0.45
▸ TUBB1 Q9H4B7 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 2/20 0.43

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
SCHEMBL13209982 0.83 MEN1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13209999 0.80 TP53 (0.44) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL3338049 0.79 MEN1 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13210028 0.78 MAPT (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13209984 0.77 MAPT (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12388669 0.77 KDM4E (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13395533 0.76 KDM4E (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13209989 0.73 DHODH (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28994967 0.71 NCEH1 (0.53) MEN1KMT2AKDM4EALDH1A1NPSR1
SCHEMBL27385781 0.71 GABRA1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-8546420-B2 4, 5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-01 — — US disclosed
US-8546420-B2 4, 5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-01 — — US disclosed
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-08-05 — — US disclosed
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-08-05 — — 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-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L TUBB4A 1643/4885TUBB 3249/4885TUBA3C 1808/4885

“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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