SCHEMBL12388713

SCHEMBL12388713

CCOC(=O)c1[nH]c2cc(F)c3c(c2c1-c1cccnc1C)OCC3

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 11/20 0.43
▸ SUZ12 Q15022 4/20 0.43
▸ EZH2 Q15910 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PREP P48147 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ CYP3A4 P08684 1/20 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
SCHEMBL12655604 0.91 EED (0.37) EEDSUZ12EZH2ALDH1A1HPGD
SCHEMBL12388702 0.71 KCNA3 (0.38) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL12435809 0.70 BTK (0.39) EEDSUZ12EZH2
SCHEMBL13926319 0.69 MAPT (0.47) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL12388709 0.69 RAB9A (0.42) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL832269 0.68 MAP2 (0.41) EEDSUZ12EZH2ALDH1A1HPGD
SCHEMBL13395655 0.68 ACHE (0.35) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL11344401 0.67 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL13395591 0.67 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL13395452 0.66 ACHE (0.40) ALDH1A1HPGDKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 — — US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 — — US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — 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 (2 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 EED 986/4885SUZ12 1432/4885EZH2 379/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 EED 733/4885SUZ12 2677/4885EZH2 306/4885

“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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