SCHEMBL1163084

SCHEMBL1163084

CCOC(=O)Cc1cn(C(C)=O)c2c(F)cc(Br)c(OC)c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TNF P01375 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
DPP4 P27487 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL12559141 0.90 AKR1C3 (0.35) MEN1KMT2ANCOA1NCOA3L3MBTL1
SCHEMBL12595704 0.81 MTNR1A (0.32) KDM4EL3MBTL1
SCHEMBL17147643 0.79 AKR1C3 (0.37) KDM4EALDH1A1
SCHEMBL12559042 0.76 MTNR1A (0.39) MEN1KMT2ANCOA1NCOA3MAPT
SCHEMBL1163353 0.74 KMT2A (0.41) MEN1KMT2AKDM4EALDH1A1NCOA1
SCHEMBL12559154 0.72 NCOA1 (0.34) MEN1KMT2ANCOA1NCOA3MAPT
SCHEMBL1163001 0.72 MTNR1A (0.35) MEN1KMT2ANCOA1NCOA3MAPT
SCHEMBL31076057 0.70 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1NCOA1
SCHEMBL31062990 0.70 ALDH1A1 (0.42) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1163394 0.70 AKR1C3 (0.36) MEN1KMT2AALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO 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 (3 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT MEN1 2074/4885KMT2A 3140/4885KDM4E 2857/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT MEN1 2074/4885KMT2A 3140/4885KDM4E 2857/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT MEN1 2074/4885KMT2A 3140/4885KDM4E 2857/4885

“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.