SCHEMBL8629993

SCHEMBL8629993

N#CC(C#N)=CC1CC(C=C(C#N)C#N)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
APP P05067 1/20 0.32
THRB P10828 1/20 0.31
CISD1 Q9NZ45 1/20 0.31
MAPK1 P28482 1/20 0.31
EGFR P00533 1/20 0.31
MDM2 Q00987 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTR2A P28223 2/20 0.30

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
SCHEMBL27532617 0.77 PDPK1 (0.42) TRPA1
SCHEMBL2955165 0.74 AR (0.36) TRPA1KMT2AMEN1MAPTKDM4E
SCHEMBL30991817 0.74 AR (0.36) TRPA1KMT2AMEN1MAPTKDM4E
SCHEMBL28268535 0.74 IDO1 (0.41) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL8902791 0.69 SLC6A2 (0.30)
SCHEMBL6689621 0.66 TRPA1 (0.35) TRPA1KMT2AMEN1MAPTALDH1A1
SCHEMBL6672820 0.65 PIM1 (0.38) TRPA1KMT2AMEN1ALDH1A1MAPK1
SCHEMBL22506874 0.65 OPRM1 (0.36) TRPA1KMT2AMEN1MAPTALDH1A1
SCHEMBL1970316 0.64 CHRNB4 (0.36) KMT2AMEN1ALDH1A1LMNATHRB
SCHEMBL18950048 0.64 PRCP (0.39) ALDH1A1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688906-A Highly efficient nonlinear optical polyimides ENICHEM S.P.A. (IT) 1997-11-18 US claimed
US-5679763-A Polyquinoline-based nonlinear optical materials ENICHEM S.P.A. (IT) 1997-10-21 US claimed
EP-0729056-A1 Polyquinoline-based nonlinear optical materials ENICHEM S.p.A. (IT) 1996-08-28 EP claimed
US-5514799-A 1,1-vinyl substituted nonlinear optical materials ENICHEM S.P.A. (IT) 1996-05-07 US claimed
EP-0647874-A1 Highly efficient nonlinear optical polyimides ENICHEM S.p.A. (IT) 1995-04-12 EP claimed
EP-0637774-A1 1,1-Vinyl substituted nonlinear optical materials ENICHEM S.p.A. (IT) 1995-02-08 EP claimed
EP-0585999-A1 Functional heteroaromatics for NLO applications ENICHEM S.p.A. (IT) 1994-03-09 EP claimed
US-20260115110-A1 Cosmetic and Dermatological Compositions UNIV NORTHEASTERN (US) 2026-04-30 US disclosed
US-20260090963-A1 Xanthommatin as Color Additive for Food, Beverage and Drug Compositions UNIV NORTHEASTERN (US) 2026-04-02 US disclosed
US-12514797-B2 Cosmetic and dermatological compositions NORTHEASTERN UNIVERSITY (US) 2026-01-06 US disclosed
US-20230131958-A1 Cosmetic and Dermatological Compositions NORTHEASTERN UNIVERSITY 2023-04-27 US disclosed
US-11464719-B2 Cosmetic and dermatological compositions NORTHEASTERN UNIVERSITY (US) 2022-10-11 US disclosed
EP-3687484-A2 COSMETIC AND DERMATOLOGICAL COMPOSITIONS BASED ON PHENOXAZONE AND PHENOXAZINE Northeastern University (US) 2020-08-05 EP disclosed
EP-0585999-A1 Functional heteroaromatics for NLO applications ENICHEM S.p.A. (IT) 1994-03-09 EP disclosed
EP-0287377-B1 AZAMETHINE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND A MEDIUM FOR RECORDING OPTICAL INFORMATION USING SUCH COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-09-01 EP disclosed
US-5220027-A Medium for optical recording SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-15 US disclosed
US-5136054-A For optical recording media SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-08-04 US disclosed
EP-0478052-A1 Liquid-crystalline and infrared-sensitive liquid-crystalline polyesters suitable for use in optical data storage, processes for the preparation of same, and an apparatus containing an infrared-sensitive liquid-crystalline polyester Akzo Nobel N.V. (NL) 1992-04-01 EP disclosed
US-5028708-A Optical recording media SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-02 US disclosed
EP-0287377-A2 Azamethine compounds, process for preparing the same and a medium for recording optical information using such compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-10-19 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 (4 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-20260090963-A1 Xanthommatin as Color Additive for Food, Beverage and Drug Compositions SLC7A1, SLC2A1, SLC5A6 TRPA1 1541/4885KMT2A 1985/4885MEN1 1511/4885
US-20260115110-A1 Cosmetic and Dermatological Compositions CUTA, TYR, XPA TRPA1 466/4885KMT2A 397/4885MEN1 1650/4885
US-11464719-B2 Cosmetic and dermatological compositions CUTA, TYR, MITF TRPA1 534/4885KMT2A 853/4885MEN1 1412/4885
US-20230131958-A1 Cosmetic and Dermatological Compositions CUTA, TYR, MITF TRPA1 534/4885KMT2A 853/4885MEN1 1412/4885

“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.