SCHEMBL14782829

SCHEMBL14782829

COCNC(=O)c1ccc2ncc(Cl)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
RECQL P46063 1/20 0.41
TP53 P04637 3/20 0.40
HPGDS O60760 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4206695 0.81 HTT (0.52) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL1644905 0.81 MEN1 (0.61) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL27982016 0.76 ALDH1A1 (0.47) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL21818455 0.75 HTT (0.52) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL3707249 0.74 HPGD (0.43) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL29967465 0.74 TDP1 (0.54) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL10584287 0.74 ALDH1A1 (0.46) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL11144403 0.74 TDP1 (0.54) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL31133345 0.74 HTT (0.51) HPGDALDH1A1KDM4ELMNA
SCHEMBL2575332 0.74 ALOX15 (0.66) NPC1RAB9AALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2022-08-11 US disclosed
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-02-11 US disclosed
US-10759766-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-09-01 US disclosed
EP-3332785-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2020-05-06 EP disclosed
US-20200055828-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-02-20 US disclosed
US-10065932-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2018-09-04 US disclosed
EP-3332785-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2018-06-13 EP disclosed
US-20180134669-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-05-17 US disclosed
EP-2755657-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2017-11-29 EP disclosed
US-9822081-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2017-11-21 US disclosed
US-20170183316-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-06-29 US disclosed
US-9518029-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2016-12-13 US disclosed
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-11 US disclosed
EP-2755657-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2014-07-23 EP disclosed
WO-2013040515-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-03-21 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 (8 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-20170183316-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HPGD 1095/4885NPC1 4182/4885RAB9A 591/4885
US-10065932-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS HPGD 1095/4885NPC1 4182/4885RAB9A 591/4885
US-20180134669-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HPGD 1095/4885NPC1 4182/4885RAB9A 591/4885
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HPGD 1095/4885NPC1 4182/4885RAB9A 591/4885
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HPGD 1123/4885NPC1 4257/4885RAB9A 499/4885
US-20200055828-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HPGD 1123/4885NPC1 4257/4885RAB9A 499/4885
US-10759766-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS HPGD 1123/4885NPC1 4257/4885RAB9A 499/4885
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HPGD 1123/4885NPC1 4257/4885RAB9A 499/4885

“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.