SCHEMBL19732385

SCHEMBL19732385

CN(C)CCN1C(=O)c2cccc3cc(NC(=O)CCCc4ccc(C(CCCl)CCCl)cc4)cc(c23)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.55
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
THRB P10828 1/20 0.45
HEXA P06865 1/20 0.45
HEXB P07686 1/20 0.45
PABPC1 P11940 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
POLB P06746 3/20 0.41
NR1I2 O75469 1/20 0.41
AHR P35869 1/20 0.41

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
SCHEMBL21175626 0.87 FTO (0.56) FTOCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL5319917 0.86 FTO (0.69) FTOCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL21572660 0.81 FTO (0.64) FTOCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL17576188 0.79 FTO (0.61) FTOCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL19732414 0.79 FTO (0.53) FTOCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL16222096 0.78 FTO (0.60) FTOCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL5457337 0.77 FTO (0.64) FTOCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL5318570 0.77 FTO (0.66) FTOCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL11440392 0.75 FTO (0.71) FTOCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL5457321 0.75 FTO (0.66) FTOCYP2D6CYP1A2CYP3A4CYP2C19

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-11007271-B2 Anticancer drug conjugates Ariel Scientific Innovations Ltd. (IL) 2021-05-18 US disclosed
US-20190224328-A1 ANTICANCER DRUG CONJUGATES Ariel Scientific Innovations Ltd. (IL) 2019-07-25 US disclosed
WO-2017216791-A9 ANTICANCER DRUG CONJUGATES Ariel Scientific Innovations Ltd. (IL) 2018-02-08 WO disclosed
WO-2017216791-A1 ANTICANCER DRUG CONJUGATES Ariel Scientific Innovations Ltd. (IL) 2017-12-21 WO 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-20190224328-A1 ANTICANCER DRUG CONJUGATES BCR, MCL1, TP53 FTO 3650/4885CYP2D6 1582/4885CYP1A2 2513/4885
US-11007271-B2 Anticancer drug conjugates BCR, MCL1, TP53 FTO 3650/4885CYP2D6 1582/4885CYP1A2 2513/4885

“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.