SCHEMBL6288808

SCHEMBL6288808

O=C(Nc1ccccc1I)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC2 Q92769 2/20 0.63
MDM4 O15151 1/20 0.63
TP53 P04637 1/20 0.63
MAPK1 P28482 1/20 0.63
POLB P06746 1/20 0.63
HPGD P15428 1/20 0.63
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
PKM P14618 2/20 0.56

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
SCHEMBL31393787 1.00 HDAC3 (0.63) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL13186811 0.94 MEN1 (0.62) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL1110180 0.87 MDM4 (0.73) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL28195774 0.83 POLB (0.64) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL2092377 0.83 GRIK1 (0.50) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL7295433 0.82 RAB9A (0.69) HDAC3HDAC1MAPK1POLBNPC1
SCHEMBL27985042 0.82 MEN1 (0.57) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL19509669 0.81 HDAC3 (0.66) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL10953014 0.81 HDAC3 (0.71) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL6067716 0.81 HDAC1 (0.66) HDAC3HDAC1HDAC2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218158-A A method of photocatalytic synthesis is at amide compound in water phase 福建医科大学 2019-09-10 CN disclosed
CN-109879833-A 2- perfluoroalkyl benzo selenium azole compounds and preparation method thereof 信阳农林学院 2019-06-14 CN disclosed
US-20140114067-A1 BENZIMIDAZOLE DERIVATIVES AS MITOCHONDRIAL FUNCTION MODULATORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-04-24 US disclosed
US-6888003-B2 Method for producing 7-(pyrazole-3-yl) benzoxazoles BASF AKTIENGESELLSCHAFT (DE) 2005-05-03 US disclosed
US-20030050477-A1 Method for producing 7-(pyrazole-3-yl) benzoxazoles BASF AKTIENGESELLSCHAFT (DE) 2003-03-13 US disclosed
US-6160194-A Soil decontamination using ferric chelates and peroxide THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 2000-12-12 US disclosed
US-4279887-A RADIOACTIVE SCANNING MEDI-PHYSICS, INC. (US) 1981-07-21 US disclosed
US-4007221-A Manufacture of nuclear-iodinated iodine compounds of aromatic character BASF AKTIENGESELLSCHAFT (DT) 1977-02-08 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-20140114067-A1 BENZIMIDAZOLE DERIVATIVES AS MITOCHONDRIAL FUNCTION MODULATORS NLN, TFAM, NDUFAB1 HDAC3 388/4885HDAC1 285/4885HDAC2 321/4885
US-20030050477-A1 Method for producing 7-(pyrazole-3-yl) benzoxazoles F7, F9, TPO HDAC3 1398/4885HDAC1 1652/4885HDAC2 1481/4885

“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.