Sugi Predict

Sugi Predict / Compounds / SCHEMBL17468436

SCHEMBL17468436

SCHEMBL17468436

c1ccc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.43
▸ ALDH1A1 P00352 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ HPRT1 P00492 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 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
SCHEMBL24702723 0.98 SIGMAR1 (0.42) SIGMAR1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL4887864 0.98 SIGMAR1 (0.42) SIGMAR1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL30343585 0.98 SIGMAR1 (0.42) SIGMAR1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL10016191 0.98 SIGMAR1 (0.42) SIGMAR1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL13766335 0.98 SIGMAR1 (0.42) SIGMAR1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL10135971 0.95 SIGMAR1 (0.40) SIGMAR1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL3636304 0.95 SIGMAR1 (0.40) SIGMAR1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL14515910 0.95 SIGMAR1 (0.42) SIGMAR1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL5473751 0.95 SIGMAR1 (0.37) SIGMAR1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL29527290 0.95 SIGMAR1 (0.43) SIGMAR1ALDH1A1HSD17B10TDP1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022209892-A1 CHARGE-TRANSPORTING VARNISH 日産化学株式会社 2022-10-06 — — WO disclosed
CN-109111461-B Novel compound and application thereof in electroluminescent device 北京鼎材科技有限公司 2021-09-10 — — CN disclosed
EP-3053910-B1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL CORP (JP) 2021-04-28 — — EP disclosed
EP-3109914-B1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL CORP (JP) 2021-04-28 — — EP disclosed
US-20210078934-A1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL CORPORATION (JP) 2021-03-18 — — US disclosed
US-10847725-B2 Sulfonic acid ester compound and use therefor NISSAN CHEMICAL CORPORATION (JP) 2020-11-24 — — US disclosed
US-20200339825-A1 CHARGE TRANSPORTING VARNISH AND CHARGE TRANSPORTING THIN FILM NISSAN CHEMICAL CORPORATION (JP) 2020-10-29 — — US disclosed
EP-3730477-A1 SULFONIC ACID ESTER COMPOUND AND USE OF SAME Nissan Chemical Corporation (JP) 2020-10-28 — — EP disclosed
US-20200317609-A1 SULFONIC ACID ESTER COMPOUND AND USE OF SAME NISSAN CHEMICAL CORPORATION (JP) 2020-10-08 — — US disclosed
US-10700283-B2 Aniline derivatives and uses thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-06-30 — — US disclosed
US-20190140183-A1 SULFONIC ACID ESTER COMPOUND AND USE THEREFOR NISSAN CHEMICAL CORPORATION (JP) 2019-05-09 — — US disclosed
US-20180002539-A1 VARNISH FOR FORMATION OF CHARGE-TRANSPORTING THIN FILM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-01-04 — — US disclosed
EP-3258511-A1 ORGANIC SEMICONDUCTOR COMPOSITION AND SEMICONDUCTING LAYER OBTAINED THEREFROM Solvay SA (BE) 2017-12-20 — — EP disclosed
EP-3252840-A1 VARNISH FOR FORMATION OF CHARGE-TRANSPORTING THIN FILM Nissan Chemical Industries, Ltd. (JP) 2017-12-06 — — EP disclosed
US-20170213986-A1 CHARGE TRANSPORT MATERIAL NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-27 — — US disclosed
US-20170213986-A1 CHARGE TRANSPORT MATERIAL NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-27 — — US disclosed
US-20160301011-A1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-13 — — US disclosed
US-20160301011-A1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-13 — — US disclosed
WO-2016117521-A1 VARNISH FOR FORMATION OF CHARGE-TRANSPORTING THIN FILM 日産化学工業株式会社 2016-07-28 — — WO disclosed
WO-2016013533-A1 CHARGE TRANSPORT MATERIAL 日産化学工業株式会社 2016-01-28 — — 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 (5 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-20160301011-A1 ANILINE DERIVATIVES AND USES THEREOF SLC18A1, SLC18A2, SLC43A1 SIGMAR1 168/4885ALDH1A1 236/4885HSD17B10 1522/4885
US-10847725-B2 Sulfonic acid ester compound and use therefor FFAR4, CYP4F11, SLC46A1 SIGMAR1 421/4885ALDH1A1 309/4885HSD17B10 767/4885
US-20200317609-A1 SULFONIC ACID ESTER COMPOUND AND USE OF SAME CYP2S1, OR10J3, ACAD11 SIGMAR1 649/4885ALDH1A1 482/4885HSD17B10 542/4885
US-20210078934-A1 CHARGE-TRANSPORTING VARNISH SLC43A1, SLC7A5, SLC38A7 SIGMAR1 780/4885ALDH1A1 967/4885HSD17B10 2597/4885
US-10700283-B2 Aniline derivatives and uses thereof SLC18A1, SLC18A2, SLC43A1 SIGMAR1 168/4885ALDH1A1 236/4885HSD17B10 1522/4885

“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.