Sugi Predict

Sugi Predict / Compounds / SCHEMBL9851524

SCHEMBL9851524

SCHEMBL9851524

O=C(O)NC1Cc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM7 Q14831 4/20 0.59
▸ MAPT P10636 1/20 0.56
▸ NPC1 O15118 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ MTNR1A P48039 3/20 0.53
▸ MTNR1B P49286 3/20 0.53
▸ IDO1 P14902 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ HRH3 Q9Y5N1 3/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47

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
SCHEMBL9851515 0.87 MTNR1A (0.73) GRM7MTNR1AMTNR1BCA1CA2
SCHEMBL30612411 0.87 MTNR1A (0.73) GRM7MTNR1AMTNR1BCA1CA2
SCHEMBL10615395 0.83 KDM4E (0.48) GRM7MAPTNPC1LMNARAB9A
SCHEMBL22469548 0.82 GRM7 (0.44) GRM7MAPTNPC1LMNARAB9A
SCHEMBL7694131 0.82 GRM7 (0.44) GRM7MAPTNPC1LMNARAB9A
SCHEMBL5439855 0.82 NPC1 (0.56) GRM7MAPTNPC1LMNARAB9A
SCHEMBL1029693 0.81 MTNR1A (0.77) GRM7MAPTNPC1LMNARAB9A
SCHEMBL30595323 0.81 MTNR1A (0.77) GRM7MAPTNPC1LMNARAB9A
SCHEMBL15591938 0.81 MAPT (0.54) GRM7MAPTNPC1LMNARAB9A
SCHEMBL1584190 0.81 MAPT (0.54) GRM7MAPTNPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102498095-A Indoline derivatives TOKYO INST TECH 2012-06-13 — — CN claimed
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 — — US disclosed
US-20210052548-A1 MU OPIOID RECEPTOR MODULATORS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-02-25 — — US disclosed
US-10745380-B2 Pyridine derivatives and their use in the treatment of cancer and hemoglobinopathies CTXT PTY LTD (AU) 2020-08-18 — — US disclosed
US-10702498-B2 MU opioid receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-07 — — US disclosed
US-20200109126-A1 MU OPIOID RECEPTOR MODULATORS UNIV CALIFORNIA (US) 2020-04-09 — — US disclosed
US-20200039956-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LTD (AU) 2020-02-06 — — US disclosed
US-20190076398-A1 MU OPIOID RECEPTOR MODULATORS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-03-14 — — US disclosed
EP-3426350-A1 PYRIDINE DERIVATIVES AND THIER USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES Ctxt Pty Ltd (AU) 2019-01-16 — — EP disclosed
WO-2017153521-A1 PYRIDINE DERIVATIVES AND THIER USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LIMITED (AU) 2017-09-14 — — WO disclosed
CN-102917590-B Tricyclic compound and the PBK inhibitor containing described compound ONCOTHERAPY SCIENCE, INC. (JP) 2016-02-17 — — CN disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 — — US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 — — EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 — — US disclosed
CN-102498095-A Indoline derivatives TOKYO INST TECH 2012-06-13 — — CN disclosed
EP-0447292-A1 4-Aminomethyl-piperidine derivatives, their preparation and therapeutic application SYNTHELABO (FR) 1991-09-18 — — 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 (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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 GRM7 2090/4885MAPT 3715/4885NPC1 1512/4885
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 GRM7 1358/4885MAPT 230/4885NPC1 450/4885
US-10702498-B2 MU opioid receptor modulators OPRM1, OPRK1, OPRD1 GRM7 44/4885MAPT 2389/4885NPC1 3473/4885
US-20200039956-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES HBB, HBG2, HCCS GRM7 4608/4885MAPT 4459/4885NPC1 2175/4885
US-20190076398-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 GRM7 44/4885MAPT 2389/4885NPC1 3473/4885
US-20210052548-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 GRM7 44/4885MAPT 2389/4885NPC1 3473/4885
US-10745380-B2 Pyridine derivatives and their use in the treatment of cancer and hemoglobinopathies HBB, HBG2, HCCS GRM7 4608/4885MAPT 4459/4885NPC1 2175/4885
US-20200109126-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 GRM7 44/4885MAPT 2389/4885NPC1 3473/4885

“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.