SCHEMBL21850140

SCHEMBL21850140

N#CCCC(CCC#N)(C(=O)Oc1ccccc1)C(=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ELANE P08246 4/20 0.38
NSD2 O96028 1/20 0.37
GUSB P08236 2/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
CYP19A1 P11511 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
USP2 O75604 1/20 0.34
MLYCD O95822 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL21850141 0.78 KMT2A (0.44) KMT2AMEN1ELANEHSD17B10HPGD
SCHEMBL28668235 0.77 ELANE (0.50) KMT2AMEN1ELANENSD2ATM
SCHEMBL22047375 0.76 MEN1 (0.64) KMT2AMEN1ELANEATML3MBTL1
SCHEMBL28650223 0.75 ZDHHC2 (0.44) ELANE
SCHEMBL22047370 0.74 MLYCD (0.46) KMT2AMEN1GUSBL3MBTL1TDP1
SCHEMBL27542951 0.74 PRSS1 (0.46) KMT2AMEN1ELANEGUSBATM
SCHEMBL29478250 0.73 ELANE (0.50) ELANENSD2ATML3MBTL1TDP1
SCHEMBL8031952 0.73 ELANE (0.47) ELANENSD2ATML3MBTL1TDP1
SCHEMBL28004319 0.72 ELANE (0.47) KMT2AMEN1ELANEHPGDMAPT
SCHEMBL28004353 0.72 PTPN1 (0.48) ELANENSD2ATML3MBTL1TDP1

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-20200176817-A1 ELECTROLYTE AND BATTERY CONTEMPORARY AMPEREX TECHNOLOGY (HONG KONG) LIMITED (CN) 2020-06-04 US disclosed
EP-3629411-A1 ELECTROLYTE AND BATTERY Contemporary Amperex Technology Co., Limited (CN) 2020-04-01 EP 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-20200176817-A1 ELECTROLYTE AND BATTERY ANO1, KCNN2, HCN2 KMT2A 2566/4885MEN1 837/4885ELANE 627/4885

“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.