SCHEMBL5652023

SCHEMBL5652023

Nc1ccc(OCc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.62
IDO1 P14902 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.47
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
MPO P05164 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
LIPE Q05469 1/20 0.43
KIF11 P52732 1/20 0.42

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
SCHEMBL30354929 1.00 MAOB (0.62) MAOBIDO1MRGPRX4KDM4EPOLB
SCHEMBL25383372 0.85 TAAR1 (0.49) MAOBIDO1KDM4EPOLBRAB9A
SCHEMBL24400853 0.84 MAOB (0.60) MAOBIDO1MRGPRX4MPOKMT2A
SCHEMBL3365264 0.82 MEN1 (0.60) MAOBIDO1KDM4EMPOKMT2A
SCHEMBL24690108 0.81 MRGPRX4 (0.47) MAOBIDO1MRGPRX4POLBKMT2A
SCHEMBL24690180 0.81 MRGPRX4 (0.47) MAOBIDO1MRGPRX4KDM4EKMT2A
SCHEMBL7082856 0.80 CYP19A1 (0.42) MAOBKDM4EPOLBRAB9AKMT2A
SCHEMBL24400852 0.79 ALDH1A1 (0.54) MAOBIDO1MRGPRX4KDM4EPOLB
SCHEMBL11182657 0.79 NPC1 (0.47) MAOBIDO1KDM4ERAB9AKMT2A
SCHEMBL18429631 0.79 APP (0.59) IDO1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-07 US disclosed
EP-4169916-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 EP disclosed
CN-115955968-A Carbohydrazone acyldinitrile compounds comprising at least two aryl or heteroaryl groups connected by a novel linker and uses thereof 韩国科学技术研究院 2023-04-11 CN disclosed
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
CN-1391563-A Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO 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-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 MAOB 976/4885IDO1 1894/4885MRGPRX4 1335/4885

“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.