Sugi Predict

Sugi Predict / Compounds / SCHEMBL3979580

SCHEMBL3979580

SCHEMBL3979580

Cc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.63
▸ CRHBP P24387 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ RAB9A P51151 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ JAK2 O60674 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ PAX8 Q06710 1/20 0.56
▸ TSHR P16473 1/20 0.55
▸ NR3C1 P04150 2/20 0.54
▸ CETP P11597 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ TSPO P30536 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.45

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
SCHEMBL1224833 0.91 TSHR (0.70) CYP2C19CRHBPCRHR2RAB9ANPC1
SCHEMBL12957067 0.90 CYP2C19 (0.51) CYP2C19CRHBPCRHR2RAB9ANPC1
SCHEMBL11691631 0.88 TSHR (0.51) CYP2C19CRHBPCRHR2RAB9ANPC1
SCHEMBL10658928 0.87 RAB9A (0.52) CYP2C19CRHBPCRHR2RAB9ANPC1
SCHEMBL4165355 0.87 RAB9A (0.52) CYP2C19CRHBPCRHR2RAB9ANPC1
SCHEMBL11636036 0.87 RAB9A (0.56) CYP2C19CRHBPCRHR2RAB9ANPC1
SCHEMBL10974928 0.86 CRHBP (0.68) CYP2C19CRHBPCRHR2ALDH1A1TSHR
SCHEMBL11012064 0.85 NR1H2 (0.54) CYP2C19CRHBPCRHR2RAB9ANPC1
SCHEMBL31538078 0.85 NR1H2 (0.54) CYP2C19CRHBPCRHR2RAB9ANPC1
SCHEMBL14283569 0.85 TSHR (0.62) CYP2C19CRHBPCRHR2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11222249-B2 Optically configurable charge-transfer materials and methods thereof NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2022-01-11 — — US disclosed
US-20210256335-A1 Optically configurable charge-transfer materials and methods thereof RECZEK JOSEPH J (US) 2021-08-19 — — US disclosed
US-11010651-B1 Optically configurable charge-transfer materials and methods thereof NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2021-05-18 — — US disclosed
CN-106883191-A A kind of N replaces the preparation method of Benzotriazole Derivative 华侨大学 2017-06-23 — — CN disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 — — US disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 — — US disclosed
US-20090242837-A1 CHARGE TRANSPORT COMPOSITIONS AND ELECTRONIC DEVICES MADE WITH SUCH COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-10-01 — — US disclosed
US-7544312-B2 Charge transport compositions and electronic devices made with such compositions HERRON NORMAN 2009-06-09 — — US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 — — US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 — — US disclosed
US-20040097725-A1 Charge transport compositions and electronic devices made with such compositions E.I. DU PONT DE NEMOURS AND COMPANY 2004-05-20 — — US disclosed
WO-2004005406-A2 CHARGE TRANSPORT COMPOSITIONS ON THE BASIS OF TRIARYLMETHANES AND THEIR USE IN ELECTRONIC DEVICES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-01-15 — — WO disclosed
WO-1997043289-A1 LARGE SYNTHETIC COMPOUNDS BASED ON ELECTRON DONOR AND ELECTRON ACCEPTOR INTERACTIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-11-20 — — WO disclosed
EP-0132920-A1 Monoazo dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-02-13 — — EP disclosed
US-4444684-A Azo dyes containing a diazotized 5-amino isothiazol moiety having thereon a sulfonic acid or salt group EASTMAN KODAK COMPANY (US) 1984-04-24 — — US disclosed
EP-0014031-A1 Water-soluble monoazo dyes of the azobenzene series, their preparation and process for the colouration of polyamide textile materials IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-08-06 — — EP disclosed
US-4140529-A Charge transport overlayer in photoconductive element and method of use XEROX CORPORATION (US) 1979-02-20 — — US disclosed
US-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 — — US disclosed
US-4059402-A SUBLIMATION, MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-11-22 — — US disclosed
US-4002631-A HEAT-SENSITIVE COLOR FORMERS HODOGAYA CHEMICAL CO., LTD. (JA) 1977-01-11 — — 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 (1 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-20040097725-A1 Charge transport compositions and electronic devices made with such compositions SLC26A3, SLC6A19, SLC18A3 CYP2C19 1535/4885CRHBP 1805/4885CRHR2 3018/4885

“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.