SCHEMBL124503

SCHEMBL124503

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.70
MAPT P10636 6/20 0.70
ALDH1A1 P00352 4/20 0.70
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
POLB P06746 2/20 0.62
RECQL P46063 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
BLM P54132 1/20 0.62
TDP1 Q9NUW8 3/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
GRK5 P34947 1/20 0.60
CDK8 P49336 1/20 0.60
SHMT2 P34897 1/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48
CHRM1 P11229 1/20 0.48

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
SCHEMBL11863473 0.86 MEN1 (0.72) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL7595039 0.84 MEN1 (0.78) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL3259543 0.81 MEN1 (1.00) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL11874571 0.81 GAA (0.74) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL124737 0.80 MEN1 (0.72) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL11870457 0.77 MEN1 (0.67) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9093455 0.77 GAA (1.00) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9914068 0.76 MEN1 (0.58) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL4579341 0.75 GAA (0.65) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL4579339 0.75 GAA (0.65) GAAMAPTALDH1A1MEN1KMT2A

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-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

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 GAA 2311/4885MAPT 2242/4885ALDH1A1 371/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS GAA 1748/4885MAPT 2173/4885ALDH1A1 378/4885

“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.