SCHEMBL17495602

SCHEMBL17495602

O=C(Oc1c[nH]nn1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.45
MAPT P10636 6/20 0.45
LMNA P02545 2/20 0.45
F2 P00734 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 2/20 0.42
PARP10 Q53GL7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
SLC6A3 Q01959 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
JAK2 O60674 1/20 0.39
USP2 O75604 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
SCHEMBL27990722 0.91 HSD17B10 (0.38) KMT2AMAPTLMNAF2SMN1; SMN2
SCHEMBL28015157 0.89 HSD17B10 (0.37) KMT2AMAPTLMNAF2SMN1; SMN2
SCHEMBL28050875 0.88 KMT2A (0.37) KMT2AMAPTSMN1; SMN2TSHRKDM4E
SCHEMBL28054634 0.88 TSHR (0.41) KMT2AMAPTSMN1; SMN2TSHRHPGD
SCHEMBL28065967 0.86 TSHR (0.40) KMT2AMAPTLMNASMN1; SMN2TSHR
SCHEMBL28044876 0.86 TSHR (0.40) KMT2AMAPTLMNASMN1; SMN2TSHR
SCHEMBL28013539 0.86 TSHR (0.40) KMT2AMAPTLMNASMN1; SMN2TSHR
SCHEMBL28005995 0.86 TSHR (0.40) KMT2AMAPTLMNASMN1; SMN2TSHR
Naphthalene SCHEMBL28011212 0.84 KMT2A (0.43) KMT2AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL28064662 0.84 CA12 (0.39) KMT2AMAPTLMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107325284-B Hyperbranched polyphenyl triazole formate as well as preparation method and application thereof 苏州大学 2020-01-14 CN claimed
CN-107325284-A A kind of hyperbranched poly phenyl triazole formic acid esters and preparation method and application 苏州大学 2017-11-07 CN claimed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed
CN-109438700-B Polymethyl triazole formate and preparation method and application thereof 苏州大学 2021-06-18 CN disclosed
EP-3177616-B1 NOVEL ROUTES OF SYNTHESIS FOR THE PREPARATION OF SUVOREXANT SANDOZ AG (CH) 2021-02-24 EP disclosed
CN-106573882-B Synthetic route to suvorexant 桑多斯股份公司 2020-09-01 CN disclosed
CN-107325284-B Hyperbranched polyphenyl triazole formate as well as preparation method and application thereof 苏州大学 2020-01-14 CN disclosed
CN-107325284-B Hyperbranched polyphenyl triazole formate as well as preparation method and application thereof 苏州大学 2020-01-14 CN disclosed
CN-107325284-B Hyperbranched polyphenyl triazole formate as well as preparation method and application thereof 苏州大学 2020-01-14 CN disclosed
US-10030010-B2 Route of synthesis for the preparation of suvorexant SANDOZ AG (CH) 2018-07-24 US disclosed
CN-107325284-A A kind of hyperbranched poly phenyl triazole formic acid esters and preparation method and application 苏州大学 2017-11-07 CN disclosed
US-20170217947-A1 Novel Route of Synthesis for the Preparation of Suvorexant SANDOZ AG (CH) 2017-08-03 US disclosed
EP-3177616-A1 NOVEL ROUTES OF SYNTHESIS FOR THE PREPARATION OF SUVOREXANT Sandoz AG (CH) 2017-06-14 EP disclosed
CN-106573882-A Novel routes of synthesis for preparation of suvorexant 桑多斯股份公司 2017-04-19 CN disclosed
WO-2016020406-A1 NOVEL ROUTES OF SYNTHESIS FOR THE PREPARATION OF SUVOREXANT SANDOZ AG (CH) 2016-02-11 WO disclosed
WO-2016020405-A1 NOVEL ROUTES OF SYNTHESIS FOR THE PREPARATION OF SUVOREXANT SANDOZ AG (CH) 2016-02-11 WO disclosed
CN-1042236-C Liquid detergent compositions PROCTER & GAMBLE (US) 1999-02-24 CN disclosed
CN-1062160-A Liquid detergent composition PROCTER & GAMBLE (US) 1992-06-24 CN 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-20170217947-A1 Novel Route of Synthesis for the Preparation of Suvorexant CYP51A1, CYP3A5, HCRTR2 KMT2A 199/4885MAPT 663/4885LMNA 3937/4885
US-10030010-B2 Route of synthesis for the preparation of suvorexant CYP51A1, CYP3A5, HCRTR2 KMT2A 175/4885MAPT 687/4885LMNA 3768/4885

“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.