SCHEMBL557625

SCHEMBL557625

CNc1ccc2cc(Br)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
APP P05067 1/20 0.44
EGFR P00533 4/20 0.40
ERBB2 P04626 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
NCEH1 Q6PIU2 1/20 0.38
EPHB2 P29323 1/20 0.36
BACE1 P56817 1/20 0.36
PRNP P04156 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8156941 0.85 EGFR (0.48) CYP2A6KMT2AMEN1KDM4EMAPT
SCHEMBL27809743 0.78 ESR1 (0.55) KMT2AMEN1LMNA
SCHEMBL25973229 0.78 EGFR (0.47) CYP2A6KMT2AMEN1KDM4EMAPT
SCHEMBL16260860 0.77 MEN1 (0.52) CYP2A6KMT2AMEN1KDM4EMAPT
SCHEMBL192166 0.77 CYP2A6 (0.77) CYP2A6KMT2AMEN1KDM4EMAPT
SCHEMBL29353067 0.77 CYP2A6 (0.77) CYP2A6KMT2AMEN1KDM4EMAPT
SCHEMBL17632052 0.77 CYP2A6 (0.45) CYP2A6KMT2AMEN1KDM4EMAPT
SCHEMBL3719955 0.77 CYP2A6 (0.45) CYP2A6KMT2AMEN1KDM4EMAPT
SCHEMBL761018 0.76 ALDH1A1 (0.58) CYP2A6KMT2AMEN1KDM4EMAPT
Hydrochloric Acid SCHEMBL27157996 0.76 MEN1 (0.50) CYP2A6KMT2AMEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114544571-B Method for constructing bioorthogonal reaction base paper device and application of bioorthogonal reaction base paper device in monoamine oxidase detection 南京工业大学 2023-04-18 CN claimed
CN-114544571-A Method for constructing bioorthogonal reaction base paper device and application of bioorthogonal reaction base paper device in monoamine oxidase detection 南京工业大学 2022-05-27 CN claimed
US-8557811-B2 Dual-color imaging method of sodium/calcium activities using two-photon fluorescent probes and preparation method of two-photon fluorescent probes Ajou University Industry—Academic Cooperation Foundation (KR) 2013-10-15 US claimed
US-20120035360-A1 DUAL-COLOR IMAGING METHOD OF SODIUM/CALCIUM ACTIVITIES USING TWO-PHOTON FLUORESCENT PROBES AND PREPARATION METHOD OF TWO-PHOTON FLUORESCENT PROBES AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION 2012-02-09 US claimed
WO-2023212818-A1 DYES FOR MONITORING CELL STATES Sunnybrook Research Institute (CA) 2023-11-09 WO disclosed
CN-114544571-B Method for constructing bioorthogonal reaction base paper device and application of bioorthogonal reaction base paper device in monoamine oxidase detection 南京工业大学 2023-04-18 CN disclosed
CN-114544571-A Method for constructing bioorthogonal reaction base paper device and application of bioorthogonal reaction base paper device in monoamine oxidase detection 南京工业大学 2022-05-27 CN disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-8557811-B2 Dual-color imaging method of sodium/calcium activities using two-photon fluorescent probes and preparation method of two-photon fluorescent probes Ajou University Industry—Academic Cooperation Foundation (KR) 2013-10-15 US disclosed
US-8557811-B2 Dual-color imaging method of sodium/calcium activities using two-photon fluorescent probes and preparation method of two-photon fluorescent probes Ajou University Industry—Academic Cooperation Foundation (KR) 2013-10-15 US disclosed
US-8557811-B2 Dual-color imaging method of sodium/calcium activities using two-photon fluorescent probes and preparation method of two-photon fluorescent probes Ajou University Industry—Academic Cooperation Foundation (KR) 2013-10-15 US disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-20080071106-A1 Two-photon dyes for real-time imaging of lipid rafts Korea University Industry and Academy Cooperation Foundation (KR) 2008-03-20 US disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 CN disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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 (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-20120035360-A1 DUAL-COLOR IMAGING METHOD OF SODIUM/CALCIUM ACTIVITIES USING TWO-PHOTON FLUORESCENT PROBES AND PREPARATION METHOD OF TWO-PHOTON FLUORESCENT PROBES CACNB2, CA2, ATP2A2 CYP2A6 3082/4885KMT2A 3829/4885MEN1 1148/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 CYP2A6 318/4885KMT2A 2392/4885MEN1 4756/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 CYP2A6 581/4885KMT2A 1204/4885MEN1 2987/4885
US-20080071106-A1 Two-photon dyes for real-time imaging of lipid rafts LAMP2, FLOT1, NPC1L1 CYP2A6 3781/4885KMT2A 3080/4885MEN1 2884/4885

“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.