SCHEMBL1473085

SCHEMBL1473085

N#CC(C#N)=C1NC(=O)C(O)=C1C#N.[NaH].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.46
▸ RCE1 Q9Y256 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.37
▸ PRNP P04156 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NR2E3 Q9Y5X4 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ EGFR P00533 2/20 0.34
▸ ALOX15 P16050 1/20 0.30
▸ GPR35 Q9HC97 1/20 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
SCHEMBL7157767 0.98 RXFP1 (0.47) RXFP1RCE1KDM4EMEN1PRNP
SCHEMBL30779734 0.96 RXFP1 (0.46) RXFP1RCE1KDM4EMEN1PRNP
SCHEMBL1473182 0.77 RXFP1 (0.65) RXFP1RCE1KDM4EMEN1PRNP
SCHEMBL5494063 0.77 RXFP1 (0.46) RXFP1RCE1KDM4EMEN1PRNP
SCHEMBL14357456 0.74 RXFP1 (0.43) RXFP1RCE1KDM4EMEN1PRNP
SCHEMBL8436464 0.67 RXFP1 (0.51) RXFP1RCE1KDM4EMEN1PRNP
SCHEMBL14613045 0.65 MEN1 (0.46) RXFP1RCE1KDM4EMEN1PRNP
SCHEMBL11730375 0.61 ALOX15 (0.41) MEN1KMT2AALOX15
SCHEMBL14357457 0.60 KDM4E (0.44) RXFP1RCE1KDM4EALOX15
SCHEMBL27284275 0.60 EGFR (0.38) RXFP1RCE1KDM4EEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117801564-A Pyrroline disperse dye containing indole group and preparation and application thereof 沈阳化工研究院有限公司 2024-04-02 — — CN disclosed
US-20130118570-A1 DYE FOR PHOTOELECTRIC CONVERSION, SEMICONDUCTOR ELECTRODE, PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND NOVEL PYRROLINE-BASED COMPOUND NEC CORPORATION (JP) 2013-05-16 — — US disclosed
US-7915428-B2 Photorefractive dendron compound, photorefractive dendrimer compound, method of preparing the same, photorefractive device using the same, and method of manufacturing the device SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-03-29 — — US disclosed
US-20090223627-A1 PHOTOREFRACTIVE DENDRON COMPOUND, PHOTOREFRACTIVE DENDRIMER COMPOUND, METHOD OF PREREPARING THE SAME, PHOTOREFRACTIVE DEVICE USING THE SAME, AND METHOD OF MANUFACTURING THE DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-09-10 — — 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 (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-20090223627-A1 PHOTOREFRACTIVE DENDRON COMPOUND, PHOTOREFRACTIVE DENDRIMER COMPOUND, METHOD OF PREREPARING THE SAME, PHOTOREFRACTIVE DEVICE USING THE SAME, AND METHOD OF MANUFACTURING THE DEVICE KISS1R, CROCC, DBN1 RXFP1 412/4885RCE1 1146/4885KDM4E 4384/4885
US-20130118570-A1 DYE FOR PHOTOELECTRIC CONVERSION, SEMICONDUCTOR ELECTRODE, PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND NOVEL PYRROLINE-BASED COMPOUND SCO2, PYCR1, CRY1 RXFP1 3674/4885RCE1 2156/4885KDM4E 2371/4885

“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.

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