SCHEMBL124737

SCHEMBL124737

O=C(NC1=NN(c2ccccc2)C(=O)C1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.72
KMT2A Q03164 9/20 0.72
GAA P10253 10/20 0.67
L3MBTL1 Q9Y468 4/20 0.65
POLB P06746 3/20 0.65
RECQL P46063 3/20 0.65
BLM P54132 1/20 0.65
MAPT P10636 7/20 0.62
ALDH1A1 P00352 4/20 0.62
GRK5 P34947 1/20 0.62
CDK8 P49336 1/20 0.62
TDP1 Q9NUW8 3/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
CHRM1 P11229 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL7595039 0.86 MEN1 (0.78) MEN1KMT2AGAAL3MBTL1POLB
SCHEMBL6514530 0.84 KMT2A (0.56) MEN1KMT2AGAAL3MBTL1POLB
SCHEMBL10875014 0.80 MEN1 (0.68) MEN1KMT2AGAAL3MBTL1POLB
SCHEMBL11863473 0.80 MEN1 (0.72) MEN1KMT2AGAAL3MBTL1POLB
SCHEMBL124503 0.80 GAA (0.70) MEN1KMT2AGAAL3MBTL1POLB
SCHEMBL11508671 0.78 MEN1 (0.57) MEN1KMT2AGAAL3MBTL1POLB
SCHEMBL11870457 0.77 MEN1 (0.67) MEN1KMT2AGAAL3MBTL1POLB
SCHEMBL6757713 0.76 MEN1 (0.63) MEN1KMT2AGAAL3MBTL1POLB
SCHEMBL8261088 0.76 MEN1 (0.68) MEN1KMT2AGAAL3MBTL1POLB
SCHEMBL13868475 0.76 TYMS (0.55) MEN1KMT2AGAAL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 US disclosed
US-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 MEN1 4480/4885KMT2A 3041/4885GAA 2311/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS MEN1 4473/4885KMT2A 2961/4885GAA 1748/4885

“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.