Sugi Predict

Sugi Predict / Compounds / SCHEMBL20157572

SCHEMBL20157572

SCHEMBL20157572

CC(c1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.45
▸ TNF P01375 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PGR P06401 2/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ AR P10275 1/20 0.41
▸ CREBBP Q92793 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ TOP2B Q02880 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40

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
SCHEMBL10922204 0.92 TDP1 (0.46) TDP1TNFLMNAPGRNR1H3
SCHEMBL10928069 0.92 NR1H3 (0.55) TDP1TNFLMNAPGRNR1H3
SCHEMBL10928072 0.92 NR1H3 (0.55) TDP1TNFLMNAPGRNR1H3
SCHEMBL10926240 0.81 ALDH1A1 (0.51) TDP1LMNA
SCHEMBL16356142 0.81 ALDH1A1 (0.51) TDP1LMNA
SCHEMBL6925572 0.81 LMNA (0.58) TDP1LMNA
SCHEMBL29393294 0.81 LMNA (0.58) TDP1LMNA
SCHEMBL607042 0.81 LMNA (0.58) TDP1LMNA
SCHEMBL8643318 0.78 TDP1 (0.46) TDP1TNFLMNAPGRNR1H3
SCHEMBL2002904 0.78 LMNA (0.47) TDP1LMNAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2021-08-10 — — US disclosed
US-20200062758-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2020-02-27 — — US disclosed
EP-3539963-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE Livo (Shanghai) Pharmaceutical Co., Ltd (CN) 2019-09-18 — — EP disclosed
WO-2018086593-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE 礼沃（上海）医药科技有限公司 2018-05-17 — — 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 (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-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use TLR7, TLR9, TLR4 TDP1 1344/4885TNF 2478/4885LMNA 729/4885
US-20200062758-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use TLR7, TLR9, NOD1 TDP1 1669/4885TNF 2451/4885LMNA 853/4885

“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.