SCHEMBL5528668

SCHEMBL5528668

O=C1c2ccccc2C(=O)N1OCc1ccncc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 1/20 0.66
GAA P10253 2/20 0.51
ALDH1A1 P00352 5/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 2/20 0.43
KCNQ2 O43526 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6524461 0.85 KMT2A (0.74) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL29367470 0.85 KMT2A (0.74) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL6918907 0.82 KMT2A (0.56) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL5528619 0.81 MEN1 (0.73) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL9396061 0.79 KMT2A (0.71) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL9694491 0.79 MEN1 (1.00) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL9671323 0.79 MEN1 (0.71) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL10914237 0.79 MEN1 (0.76) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL26497888 0.79 KMT2A (0.71) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL15846180 0.79 KMT2A (0.65) MEN1KMT2AMAPTGAAALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922379-B Substituted guanidine derivatives 宇部兴产株式会社 2020-11-06 CN disclosed
US-10759781-B2 Substituted guanidine derivatives UBE INDUSTRIES, LTD. (JP) 2020-09-01 US disclosed
US-10759781-B2 Substituted guanidine derivatives UBE INDUSTRIES, LTD. (JP) 2020-09-01 US disclosed
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 2019-05-23 US disclosed
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 2019-05-23 US disclosed
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SHIONOGI & CO., LTD. (JP) 2018-07-05 US disclosed
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SHIONOGI & CO., LTD. (JP) 2018-07-05 US disclosed
EP-3333163-A1 SUBSTITUTED GUANIDINE DERIVATIVE UBE Industries, Ltd. (JP) 2018-06-13 EP disclosed
EP-3318567-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL Shionogi & Co., Ltd (JP) 2018-05-09 EP disclosed
WO-2017022861-A1 SUBSTITUTED GUANIDINE DERIVATIVE 宇部興産株式会社 2017-02-09 WO disclosed
US-4960889-A CEPHALOSPORIN INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-02 US disclosed
US-4731443-A 7-acylamino-3-vinylcephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-15 US disclosed
EP-0244637-A1 Starting compounds for 7-acylamino-3-vinylcephalosporanic acid derivatives and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-11-11 EP disclosed
EP-0030630-B1 7-ACYLAMINO-3-VINYLCEPHALOSPORANIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM; THEIR STARTING COMPOUNDS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-01 EP disclosed
US-4585860-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 US disclosed
US-4487927-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 US disclosed
EP-0123024-A2 7-Acylamino-3-vinylcephalosporanic acid derivatives, processes for their preparation, pharmaceutical compositions containing them; their starting compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 EP disclosed
US-4423213-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-12-27 US disclosed
US-4409214-A Including cefixime; antibiotics FUJISAWA PHARMACEUTICAL, CO., LTD. (JP) 1983-10-11 US disclosed
EP-0030630-A2 7-Acylamino-3-vinylcephalosporanic acid derivatives, processes for their preparation, pharmaceutical compositions containing them; their starting compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-24 EP 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-10759781-B2 Substituted guanidine derivatives GMPS, GUCY1A1, GUCY1A2 MEN1 1957/4885KMT2A 2982/4885MAPT 2077/4885
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SULT1E1, ABCC5, ABCC4 MEN1 3304/4885KMT2A 316/4885MAPT 4751/4885
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES GMPS, GUCY1A1, GUCY1A2 MEN1 1957/4885KMT2A 2982/4885MAPT 2077/4885

“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.