SCHEMBL17236166

SCHEMBL17236166

O=C(NNC(=O)c1cccc(Br)c1)c1cccc(Br)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.77
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
NPC1 O15118 3/20 0.72
ALDH1A1 P00352 5/20 0.70
MAPT P10636 4/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C19 P33261 1/20 0.70
LMNA P02545 3/20 0.66
HTT P42858 2/20 0.66
RAB9A P51151 2/20 0.66
POLB P06746 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
ATM Q13315 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.62
PARP1 P09874 1/20 0.61

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
SCHEMBL4652925 0.94 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL18706992 0.92 SMN1; SMN2 (0.68) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL7377540 0.91 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL14907949 0.88 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL27519614 0.88 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL31305679 0.87 KDM4E (0.64) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL17336774 0.87 KDM4E (0.64) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL17087710 0.86 NPC1 (0.75) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL15426715 0.85 NPC1 (0.74) SMN1; SMN2MEN1KMT2ANPC1CYP1A2
SCHEMBL17148991 0.85 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9455410-B2 Micromolecular electron transport material based on pyridine and triazole, preparation method and organic light-emitting diode thereof SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD (CN) 2016-09-27 US disclosed
US-20150318485-A1 MICROMOLECULAR ELECTRON TRANSPORT MATERIAL BASED ON PYRIDINE AND TRIAZOLE, PREPARATION METHOD AND ORGANIC LIGHT-EMITTING DIODE THEREOF SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD (CN) 2015-11-05 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 (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-20150318485-A1 MICROMOLECULAR ELECTRON TRANSPORT MATERIAL BASED ON PYRIDINE AND TRIAZOLE, PREPARATION METHOD AND ORGANIC LIGHT-EMITTING DIODE THEREOF TOMM34, MLNR, MAP1LC3B SMN1; SMN2 4630/4885MEN1 1282/4885KMT2A 4270/4885

“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.