Sugi Predict

Sugi Predict / Compounds / SCHEMBL908704

SCHEMBL908704

SCHEMBL908704

O=[N+]([O-])c1[c]c(Cl)cc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ TSHR P16473 4/20 0.45
▸ CYP19A1 P11511 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.41
▸ GPR35 Q9HC97 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ VCAM1 P19320 2/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL909500 0.87 ALDH1A1 (0.56) ALDH1A1TSHRCYP19A1HSD17B10GPR35
SCHEMBL18479 0.84 CYP19A1 (0.52) ALDH1A1TSHRCYP19A1HSD17B10GPR35
SCHEMBL3838037 0.81 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10GPR35TDP1
SCHEMBL11458412 0.79 TSHR (0.45) ALDH1A1TSHRHSD17B10GPR35TDP1
SCHEMBL909497 0.78 ALDH1A1 (0.47) ALDH1A1TSHRCYP19A1HSD17B10GPR35
SCHEMBL28123478 0.78 ALDH1A1 (0.47) ALDH1A1TSHRCYP19A1HSD17B10GPR35
SCHEMBL7269560 0.78 TSHR (0.48) ALDH1A1TSHRCYP19A1HSD17B10GPR35
SCHEMBL7274798 0.75 TSHR (0.50) ALDH1A1TSHRCYP19A1HSD17B10GPR35
SCHEMBL11316254 0.75 ALDH1A1 (0.45) ALDH1A1TSHRCYP19A1GPR35TDP1
SCHEMBL909296 0.75 TSHR (0.45) ALDH1A1TSHRCYP19A1HSD17B10GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351178-B2 Selective HDAC6 inhibitors ITALFARMACO SPA (IT) 2022-06-07 — — US claimed
US-20210128577-A1 Selective HDAC6 Inhibitors ITALFARMACO S.P.A. (IT) 2021-05-06 — — US claimed
CN-110305500-B Dye composition, disperse dye product containing dye composition and application of disperse dye product 杭州吉华江东化工有限公司 2021-03-19 — — CN claimed
CN-110546140-A selective HDAC6 inhibitors ITALFARMACO SPA 2019-12-06 — — CN claimed
EP-3562810-A1 SELECTIVE HDAC6 INHIBITORS Italfarmaco SpA (IT) 2019-11-06 — — EP claimed
WO-2018189340-A1 SELECTIVE HDAC6 INHIBITORS ITALFARMACO S.P.A. (IT) 2018-10-18 — — WO claimed
CN-106272390-A A kind of tunneling shield cutterhead controlled based on PLC changes mechanical hand and method of work thereof 江苏建筑职业技术学院 2017-01-04 — — CN claimed
US-5550218-A DISPERSE DYES FOR DYEING OR PRINTING TEXTILE MATERIALS MADES OF NATURAL, SYNTHETIC OR SEMI-SYNTHETIC HYDROPHOBIC ORGANIC MATERIALS SANDOZ LTD. (CH) 1996-08-27 — — US claimed
US-5420254-A Monoazo dyes for textiles such as cellulose or polyesters SANDOZ LTD. (CH) 1995-05-30 — — US claimed
US-4401600-A INTERMEDIATES FOR AZO DYES CIBA-GEIGY CORPORATION (US) 1983-08-30 — — US claimed
US-4243583-A COUPLING DIAZONIUM SALT WITH MALONONITRILE DIMER, CYCLIZATION CIBA-GEIGY CORPORATION (US) 1981-01-06 — — US claimed
US-4104270-A Process for the manufacture of aromatic phosphonates IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-01 — — US claimed
US-4035143-A HYDROPHOBIC FIBERS AND FILMS, HETEROAROMATIC RADICALS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-12 — — US claimed
CN-110546140-B Selective HDAC6 inhibitors 意大发马克股份公司 2023-05-16 — — CN disclosed
EP-3562810-B1 BENZHYDROXAMIC ACID DERIVATIVES AS SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-05-03 — — EP disclosed
US-11351178-B2 Selective HDAC6 inhibitors ITALFARMACO SPA (IT) 2022-06-07 — — US disclosed
US-4104270-A Process for the manufacture of aromatic phosphonates IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-01 — — US disclosed
US-4087420-A DYEING AND PRINTING OF HYDROPHOBIC SYNTHETIC FIBERS AND FILMS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1978-05-02 — — US disclosed
US-4035143-A HYDROPHOBIC FIBERS AND FILMS, HETEROAROMATIC RADICALS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-12 — — US disclosed
US-3987026-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1976-10-19 — — US 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-20210128577-A1 Selective HDAC6 Inhibitors HDAC6, HDAC1, HDAC3 ALDH1A1 104/4885TSHR 4046/4885CYP19A1 899/4885
US-11351178-B2 Selective HDAC6 inhibitors HDAC6, HDAC1, HDAC3 ALDH1A1 119/4885TSHR 4015/4885CYP19A1 1041/4885

“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.