Sugi Predict

Sugi Predict / Compounds / SCHEMBL2360147

SCHEMBL2360147

SCHEMBL2360147

O=[N+]([O-])c1cnn(Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.60
▸ LMNA P02545 4/20 0.58
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ F2 P00734 1/20 0.50
▸ PLAU P00749 1/20 0.50
▸ ELANE P08246 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ NPSR1 Q6W5P4 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
SCHEMBL1978804 0.86 MEN1 (0.56) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL21523693 0.86 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL21523770 0.84 LMNA (0.58) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL14228185 0.84 LMNA (0.63) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL5004940 0.84 SIGMAR1 (0.48) ALDH1A1LMNAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL19468848 0.83 SIGMAR1 (0.47) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL21523794 0.83 KMT2A (0.58) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL14712536 0.83 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL13851463 0.82 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL21523647 0.82 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182475-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH HYPERMINERALIZATION Université de Lausanne (CH) 2024-06-06 — — US disclosed
EP-4308117-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH HYPERMINERALIZATION Université de Lausanne (CH) 2024-01-24 — — EP disclosed
WO-2022194953-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH HYPERMINERALIZATION Université de Lausanne (CH) 2022-09-22 — — WO disclosed
CN-114645068-A Enzymatic synthesis method of aromatic amine compound 上海合全药物研发有限公司 2022-06-21 — — CN disclosed
CN-113912542-A Method for directly ammoniating nitro nitrogen heterocyclic compound 南京理工大学 2022-01-11 — — CN disclosed
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 — — CN disclosed
EP-3784234-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-03-03 — — EP disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 — — US disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 — — US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 — — US disclosed
US-9604975-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2017-03-28 — — US disclosed
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD (GB) 2015-04-09 — — US disclosed
US-8916591-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2014-12-23 — — US disclosed
US-8288403-B2 Heterocyclic gamma secretase modulators HOFFMANN-LA ROCHE INC. (US) 2012-10-16 — — US disclosed
CN-102209537-A Heterocyclic gamma secretase modulators HOFFMANN LA ROCHE 2011-10-05 — — CN disclosed
EP-2355817-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. Hoffmann-La Roche AG (CH) 2011-08-17 — — EP disclosed
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2011-01-27 — — US disclosed
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 — — WO disclosed
US-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2010-05-13 — — US disclosed
WO-2009093012-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2009-07-30 — — 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 (6 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-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS BACE1, APH1A, APP ALDH1A1 3285/4885LMNA 679/4885MEN1 3151/4885
US-20240182475-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH HYPERMINERALIZATION CTH, CBS, GAA ALDH1A1 2316/4885LMNA 1655/4885MEN1 1390/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 ALDH1A1 1004/4885LMNA 1114/4885MEN1 582/4885
US-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885LMNA 1966/4885MEN1 1807/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 ALDH1A1 1503/4885LMNA 1195/4885MEN1 744/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885LMNA 1966/4885MEN1 1807/4885

“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.