SCHEMBL4772361

SCHEMBL4772361

COc1cccc(C(=O)C2CCCNC2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.54
EED O75530 1/20 0.52
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PARP1 P09874 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
HSD11B1 P28845 1/20 0.46
MGLL Q99685 1/20 0.46
POLB P06746 1/20 0.45

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
Hydrochloric Acid SCHEMBL17913736 0.99 KDM2B (0.53) KDM2BEEDCES2CES1MEN1
SCHEMBL17913708 0.87 KDM2B (0.59) KDM2B
SCHEMBL29576581 0.87 KDM2B (0.59) KDM2B
SCHEMBL11798075 0.85 NPC1 (0.59) KDM2BMEN1KMT2ALMNAHSD11B1
SCHEMBL6208933 0.84 CES2 (0.57) KDM2BCES2CES1MEN1KMT2A
SCHEMBL18360283 0.84 KDM2B (0.62) KDM2BCES2CES1MEN1KMT2A
SCHEMBL4752711 0.83 ALDH1A1 (0.50) MEN1KMT2APARP1NPSR1LMNA
Hydrochloric Acid SCHEMBL16432038 0.83 HTR2C (0.57) KDM2BCES2CES1MEN1KMT2A
SCHEMBL4777663 0.82 MGLL (0.47) KMT2ALMNAMGLLPOLB
SCHEMBL7309424 0.81 CES2 (0.65) KDM2BCES2CES1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
EP-3242872-B1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2019-07-03 EP disclosed
US-10280149-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-05-07 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
WO-2016112284-A1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-07-14 WO disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 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 (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-10280149-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B KDM2B 3/4885EED 91/4885CES2 625/4885
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B KDM2B 3/4885EED 91/4885CES2 625/4885

“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.