SCHEMBL684977

SCHEMBL684977

Cc1cc(Cl)c(O)c(/C=N/NC(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 3/20 0.59
USP2 O75604 1/20 0.59
MCOLN3 Q8TDD5 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALOX5 P09917 1/20 0.57
PTGS2 P35354 1/20 0.57
PIK3CG P48736 1/20 0.56
SIRT1 Q96EB6 3/20 0.55
GCGR P47871 2/20 0.55
RAB9A P51151 4/20 0.54
HTT P42858 3/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 4/20 0.53
KDM1A O60341 1/20 0.52
ATM Q13315 1/20 0.52
HPGD P15428 1/20 0.51

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
SCHEMBL684599 0.90 PIK3CG (0.57) KDM4EMEN1KMT2ANPC1USP2
SCHEMBL683936 0.90 KMT2A (0.64) KDM4EMEN1KMT2ANPC1USP2
SCHEMBL685265 0.89 KDM1A (0.65) KDM4EMEN1KMT2ANPC1USP2
SCHEMBL685011 0.89 RAB9A (0.61) KDM4EMEN1KMT2ANPC1USP2
SCHEMBL13549794 0.87 KMT2A (0.69) KDM4EMEN1KMT2ANPC1USP2
SCHEMBL684716 0.87 NPC1 (0.67) KDM4EMEN1KMT2ANPC1USP2
SCHEMBL15600642 0.87 ALOX5 (0.59) KDM4EMEN1KMT2ANPC1ALOX5
SCHEMBL6570260 0.87 NPC1 (0.77) KDM4EMEN1KMT2ANPC1USP2
SCHEMBL6570259 0.87 NPC1 (0.77) KDM4EMEN1KMT2ANPC1USP2
SCHEMBL685119 0.87 NPC1 (0.77) KDM4EMEN1KMT2ANPC1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210215671-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-20210215670-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-20200049693-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2020-02-13 US disclosed
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 US disclosed
US-9546149-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-01-17 US disclosed
US-20160168116-A1 IRE-1alpha Inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2016-06-16 US disclosed
US-9241942-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2016-01-26 US disclosed
US-20140080832-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-14 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20110065162-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2011-03-17 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 (5 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 KDM4E 1473/4885MEN1 536/4885KMT2A 1362/4885
US-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 KDM4E 3278/4885MEN1 3492/4885KMT2A 4384/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 KDM4E 3278/4885MEN1 3492/4885KMT2A 4384/4885
US-20140080832-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 KDM4E 3278/4885MEN1 3492/4885KMT2A 4384/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM4E 1286/4885MEN1 508/4885KMT2A 1224/4885

“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.