SCHEMBL7590901

SCHEMBL7590901

N#Cc1cc2ccc(Br)cc2cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.50
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NSD2 O96028 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHEK1 O14757 1/20 0.41
GPR35 Q9HC97 2/20 0.41

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
SCHEMBL29597014 1.00 CYP2A6 (0.50) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL26623457 0.86 CYP2A6 (0.42) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL28628169 0.86 CYP2A6 (0.42) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL8404526 0.86 CYP2A6 (0.42) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL28628069 0.86 CYP2A6 (0.42) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL22155637 0.84 MAOB (0.44) KDM4EMAPTALDH1A1MAOBMAOA
SCHEMBL1395661 0.78 MAOB (0.61) KDM4EALDH1A1MAOBMAOACHEK1
SCHEMBL30475151 0.78 MAOB (0.61) KDM4EALDH1A1MAOBMAOACHEK1
SCHEMBL744467 0.77 CYP2A6 (0.50) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL23312077 0.77 CYP2A6 (0.68) CYP2A6KDM4EMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024058102-A1 COLORANT 住友化学株式会社 2024-03-21 WO disclosed
US-11296282-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-04-05 US disclosed
US-20200203632-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-06-25 US disclosed
US-20120255614-A1 Increased Near-Infrared Light Harvesting in Dye-Sensitized Solar Cells using Co-sensitized Energy Relay Dyes on Titania HARDIN BRIAN E (US) 2012-10-11 US disclosed
EP-0597389-B1 Water-soluble tetraazaporphins and fluorochrome for labeling HITACHI CHEMICAL CO LTD (JP) 2002-10-02 EP disclosed
EP-0851898-B1 LOW HUE PHOTOBLEACHES PROCTER & GAMBLE (US) 2001-10-04 EP disclosed
US-5916481-A ORGANOSILICONE PHTHALOCYANINE COMPOUNDS FOR BLEACHES THE PROCTER & GAMBLE COMPANY (US) 1999-06-29 US disclosed
EP-0851898-A1 LOW HUE PHOTOBLEACHES THE PROCTER & GAMBLE COMPANY (US) 1998-07-08 EP disclosed
EP-0842228-A1 LOW HUE PHOTODISINFECTANTS THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP disclosed
US-5679661-A ORGANOSILICON PHTHALOCYANINE AND NAPHTHALOCYANINES, USEFUL FOR TREATING DISPOSABLE ARTICLE OF PAPER AND TEXTILE, SEWAGE AND SWIMMING POOLS TREATMENT THE PROCTER & GAMBLE COMPANY (US) 1997-10-21 US disclosed
EP-0296876-B1 NAPHTHALOCYANINE DERIVATIVES AND THEIR USE IN OPTICAL RECORDING MEDIUM Hitachi Chemical Co., Ltd. (JP) 1993-01-20 EP disclosed
EP-0502723-A2 Water-soluble tetraazaporphins and fluorochrome for labeling HITACHI CHEMICAL CO., LTD. (JP) 1992-09-09 EP disclosed
US-5110968-A NAPHTHALOCYANINE DERIVATIVES, PRODUCTION THEREOF, OPTICAL RECORDING MEDIUM USING THE SAME, AND PRODUCTION THEREOF HITACHI, CHEMICAL COMPANY LTD. (JP) 1992-05-05 US disclosed
US-5075203-A Containing sulfone groups; absorbers of laser beams HITACHI CHEMICAL COMPANY, LTD. (JP) 1991-12-24 US disclosed
US-5039600-A Solubility in organic solvents, absorption of semiconductor laser light HITACHI CHEMICAL COMPANY, LTD. (JP) 1991-08-13 US disclosed
US-5034309-A Used for forming a recording layer HITACHI CHEMICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0378336-A1 Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof Hitachi Chemical Co., Ltd. (JP) 1990-07-18 EP disclosed
EP-0366440-A2 Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof Hitachi Chemical Co., Ltd. (JP) 1990-05-02 EP disclosed
EP-0357360-A2 Naphthalocyanine derivatives, production thereof and optical recording medium using the same Hitachi Chemical Co., Ltd. (JP) 1990-03-07 EP disclosed
EP-0296876-A2 Naphthalocyanine derivatives and their use in optical recording medium Hitachi Chemical Co., Ltd. (JP) 1988-12-28 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 (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-11296282-B2 Organic compound and organic electroluminescence device using the same SLCO4C1, EML4, SLCO2A1 CYP2A6 2573/4885KDM4E 2771/4885MAPT 524/4885
US-20200203632-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, EML4, SLCO2A1 CYP2A6 2573/4885KDM4E 2771/4885MAPT 524/4885

“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.