SCHEMBL789372

SCHEMBL789372

Cc1ccc2nc(OC(C)C)c(C(C)C)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NQO2 P16083 1/20 0.46
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 5/20 0.38
CYP2A6 P11509 3/20 0.36
NCK1 P16333 1/20 0.35
BACE1 P56817 1/20 0.35
PDE10A Q9Y233 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 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
SCHEMBL789376 1.00 KDM4E (0.46) KDM4EMEN1KMT2ANQO2ALDH1A1
SCHEMBL21097528 0.85 NQO2 (0.47) KDM4EMEN1KMT2ANQO2ALDH1A1
SCHEMBL20248262 0.83 MEN1 (0.37) KDM4EMEN1KMT2ARAB9A
SCHEMBL21303167 0.83 MEN1 (0.37) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL789356 0.83 KDM4E (0.41) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL18684819 0.83 MEN1 (0.37) KDM4EMEN1KMT2ARAB9A
SCHEMBL21303166 0.83 MEN1 (0.37) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL789176 0.83 KDM4E (0.41) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL789146 0.81 ALDH1A1 (0.51) KDM4EMEN1KMT2ANQO2ALDH1A1
SCHEMBL789184 0.81 ALDH1A1 (0.51) KDM4EMEN1KMT2ANQO2ALDH1A1

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-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2018-06-14 US disclosed
US-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2017-03-30 US disclosed
US-9220748-B2 Macrocyclic proline derived HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 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 (4 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-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885MEN1 4449/4885KMT2A 3360/4885
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD KDM4E 1290/4885MEN1 4449/4885KMT2A 3360/4885
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885MEN1 4449/4885KMT2A 3360/4885
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885MEN1 4449/4885KMT2A 3360/4885

“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.