SCHEMBL572749

SCHEMBL572749

C1=CN(c2cccc3ccccc23)CS1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.46
TSHR P16473 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
NCF1 P14598 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
MTOR P42345 1/20 0.46
HTR3A P46098 1/20 0.46
HTR5A P47898 1/20 0.46
HTR6 P50406 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL4216264 0.75 HSD17B10 (0.48) HSD17B10TSHRHTR3EHTR3BCYP1A2
SCHEMBL30136182 0.74 ADRB1 (0.43) TSHRHTR1AHTR7HTR3AALDH1A1
SCHEMBL27957824 0.74 ADRB1 (0.44) TSHRALDH1A1KDM4ELMNANOTUM
SCHEMBL29031422 0.73 ADRB1 (0.53) HTR1AHTR6MAPTMEN1KMT2A
SCHEMBL28861560 0.71 MGLL (0.42) TSHRHTR1AHTR2ALMNAMAPT
SCHEMBL28857529 0.70 NCF1 (0.40) HTR1ANCF1HTR2ACYP2A6
SCHEMBL30136220 0.70 DRD2 (0.47) HTR3EHTR3BHTR7HTR3AHTR6
SCHEMBL3517237 0.69 HSD17B10 (0.47) HSD17B10TSHRHTR3EHTR3BCYP1A2
SCHEMBL10972103 0.68 HSD17B10 (0.42) HSD17B10TSHRHTR3EHTR3BCYP1A2
SCHEMBL8355768 0.68 HSD17B10 (0.42) HSD17B10TSHRHTR3EHTR3BCYP1A2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103124774-B Metal complex dye, photo-electric conversion element and photoelectrochemical cell FUJIFILM CORP. (JP) 2015-08-19 CN claimed
CN-103124774-A Metal complex dye, photoelectric conversion element and photoelectrochemical cell FUJIFILM CORP 2013-05-29 CN claimed
CN-103124774-B Metal complex dye, photo-electric conversion element and photoelectrochemical cell FUJIFILM CORP. (JP) 2015-08-19 CN disclosed
CN-103124774-B Metal complex dye, photo-electric conversion element and photoelectrochemical cell FUJIFILM CORP. (JP) 2015-08-19 CN disclosed
CN-103124774-A Metal complex dye, photoelectric conversion element and photoelectrochemical cell FUJIFILM CORP 2013-05-29 CN disclosed
CN-103124774-A Metal complex dye, photoelectric conversion element and photoelectrochemical cell FUJIFILM CORP 2013-05-29 CN disclosed
WO-2012017868-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT AND PHOTOELECTROCHEMICAL CELL 富士フイルム株式会社 (JP) 2012-02-09 WO disclosed
US-20110059070-A1 Combination therapy for tumoral desease treatment RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2011-03-10 US disclosed
EP-2061464-A2 COMBINATION THERAPY FOR TUMORAL DISEASE TREATMENT Ramot, at Tel Aviv University Ltd. (IL) 2009-05-27 EP disclosed
WO-2008032324-A2 COMBINATION THERAPY FOR TUMORAL DISEASE TREATMENT RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2008-03-20 WO disclosed
US-5861424-A CATIONIC HETEROCYCLIC COMPOUNDS FOR TREATING CANCER DANA FARBER CANCER INSTITUTE (US) 1999-01-19 US disclosed
US-5670530-A ADJUSTMENT SOLUBILITY OF RHODACYANINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1997-09-23 US disclosed
US-5618831-A RHODACYANINE DYES; TREATING MELANOMAS FUJI PHOTO FILM CO., LTD. (JP) 1997-04-08 US disclosed
EP-0527494-B1 Compositon containing rhodacyanine dyes for treating cancer FUJI PHOTO FILM CO LTD (JP) 1996-11-06 EP disclosed
US-5360803-A Rhodocyanine dyes DAN FARBER CANCER INSTITUTE (US) 1994-11-01 US disclosed
EP-0594697-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-04 EP disclosed
EP-0527494-A1 Compositon containing rhodacyanine dyes for treating cancer Fuji Photo Film Co., Ltd. (JP) 1993-02-17 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 (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-20110059070-A1 Combination therapy for tumoral desease treatment MME, HSP90B1, CD68 HSD17B10 3330/4885TSHR 4263/4885HTR3E 4107/4885

“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.