Sugi Predict

Sugi Predict / Compounds / SCHEMBL7155166

SCHEMBL7155166

SCHEMBL7155166

CC(C)(C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.55
▸ PDGFRB P09619 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ CYP19A1 P11511 2/20 0.46
▸ NR3C2 P08235 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GUSB P08236 1/20 0.42
▸ ABCB1 P08183 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
SCHEMBL7365267 0.90 HRH4 (0.55) HRH4PDGFRBPDGFRANR3C2ALDH1A1
SCHEMBL5087407 0.89 LEF1 (0.55) HRH4ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL6323164 0.85 HRH4 (0.58) HRH4PDGFRBPDGFRACYP19A1ALDH1A1
SCHEMBL656156 0.82 KDM4E (0.67) HRH4ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL12862878 0.80 HRH4 (0.62) HRH4PDGFRBPDGFRACYP19A1ALDH1A1
SCHEMBL27885276 0.80 HRH4 (0.61) HRH4PDGFRBPDGFRACYP19A1ALDH1A1
SCHEMBL5677916 0.80 HRH4 (0.53) HRH4PDGFRBPDGFRACYP19A1ALDH1A1
SCHEMBL832227 0.79 RAB9A (0.67) HRH4PDGFRBPDGFRAALDH1A1SMN1; SMN2
SCHEMBL1156515 0.79 HRH4 (0.60) HRH4PDGFRBPDGFRACYP19A1ALDH1A1
SCHEMBL1260652 0.79 HRH4 (0.60) HRH4PDGFRBPDGFRACYP19A1ALDH1A1

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-113943259-A Amino acid derivative, preparation method and application thereof 西安禾渼生物医药有限公司 2022-01-18 — — CN disclosed
EP-3138839-B1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2020-10-28 — — EP disclosed
CN-105829298-B A kind of pyridone or pyrimidone derivatives, and its preparation method and application 四川海思科制药有限公司 2019-02-01 — — CN disclosed
US-10174020-B2 Pyridone or pyrimidone derivative, preparation method therefor and application thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-01-08 — — US disclosed
US-10174020-B2 Pyridone or pyrimidone derivative, preparation method therefor and application thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-01-08 — — US disclosed
EP-3138839-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2017-03-08 — — EP disclosed
EP-3138839-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2017-03-08 — — EP disclosed
US-20170029423-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2017-02-02 — — US disclosed
US-20170029423-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2017-02-02 — — US disclosed
US-20170029423-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2017-02-02 — — US disclosed
CN-105829298-A Pyridone or pyrimidone derivative, preparation method therefor and application thereof 四川海思科制药有限公司 2016-08-03 — — CN disclosed
WO-2015120777-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 四川海思科制药有限公司 2015-08-20 — — WO disclosed
US-6534660-B1 Halogenation, alkylation and ring-closure of protected 2-amino-4-hydroxynaphthalene under suitable conditions to provide desired racemate, isolating (-) isomer, removing protecting groups IMMUNOGEN, INC. 2003-03-18 — — US disclosed
EP-0563475-B1 Cell binding agent conjugates of derivatives of CC-1065 IMMUNOGEN INC (US) 2000-05-31 — — EP disclosed
US-5846545-A Targeted delivery of cyclopropylbenzindole-containing cytotoxic drugs IMMUNOGEN, INC. (US) 1998-12-08 — — US disclosed
US-5585499-A DRUG DELIVERY IMMUNOGEN INC. (US) 1996-12-17 — — US disclosed
US-5475092-A Deliver cytotoxic drugs to specific cell population in targeted fashion IMMUNOGEN INC. (US) 1995-12-12 — — US disclosed
EP-0563475-A1 Cell binding agent conjugates of derivatives of CC-1065 IMMUNOGEN INC (US) 1993-10-06 — — 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 (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-10174020-B2 Pyridone or pyrimidone derivative, preparation method therefor and application thereof TYMP, DHFR, TYMS HRH4 2018/4885PDGFRB 794/4885PDGFRA 973/4885
US-20170029423-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TYMP, DHFR, TYMS HRH4 2018/4885PDGFRB 794/4885PDGFRA 973/4885

“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.