SCHEMBL124459

SCHEMBL124459

CN(C)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.58
ITGB7 P26010 1/20 0.58
KMT2A Q03164 11/20 0.49
MEN1 O00255 10/20 0.49
MAPT P10636 6/20 0.49
POLB P06746 4/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
RECQL P46063 1/20 0.49
MCL1 Q07820 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
METAP1 P53582 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
NOX4 Q9NPH5 3/20 0.46
NOX1 Q9Y5S8 2/20 0.46
PKM P14618 2/20 0.45

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
SCHEMBL12218472 0.85 MAPT (0.61) ITGA4ITGB7KMT2AMEN1MAPT
SCHEMBL123625 0.82 KMT2A (0.52) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL124411 0.79 MAPT (0.58) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL3757161 0.77 MAPT (0.62) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL3757164 0.77 MAPT (0.62) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL3757156 0.77 MAPT (0.62) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL15347429 0.75 KDM1A (0.63) ITGA4ITGB7KMT2AMEN1MAPT
SCHEMBL15347430 0.75 KDM1A (0.63) ITGA4ITGB7KMT2AMEN1MAPT
SCHEMBL4037782 0.70 METAP1 (0.76) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL11156202 0.70 NOX4 (0.72) KMT2AMEN1MAPTALDH1A1RECQL

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 ITGA4 2362/4885ITGB7 2015/4885KMT2A 3041/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS ITGA4 2395/4885ITGB7 2190/4885KMT2A 2961/4885

“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.