SCHEMBL19737586

SCHEMBL19737586

Cc1cc(=O)[nH]c2ccc(C(C)C)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
KDM4E B2RXH2 6/20 0.56
GAA P10253 4/20 0.56
HPGD P15428 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TNKS2 Q9H2K2 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 1/20 0.55
AR P10275 3/20 0.48
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 1/20 0.46
KIF11 P52732 1/20 0.46
PKM P14618 3/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44

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
SCHEMBL12589465 0.86 KDM4E (0.59) LMNAKDM4EGAAHPGDALDH1A1
SCHEMBL22643826 0.84 AR (0.56) LMNAKDM4EGAAHPGDALDH1A1
SCHEMBL10650676 0.83 KDM4E (0.54) LMNAKDM4EGAAHPGDALDH1A1
SCHEMBL38650847 0.83 KDM4E (0.54) LMNAKDM4EGAAHPGDALDH1A1
SCHEMBL1771351 0.79 AR (0.64) AR
SCHEMBL21376875 0.78 KIF11 (0.62) LMNAKDM4EGAAALDH1A1MAPT
SCHEMBL31475465 0.77 LMNA (0.67) LMNAKDM4EGAAHPGDALDH1A1
SCHEMBL9724162 0.77 LMNA (0.67) LMNAKDM4EGAAHPGDALDH1A1
SCHEMBL9156301 0.77 HTR1D (0.46) LMNAKDM4EGAAHPGDALDH1A1
SCHEMBL9160413 0.77 KDM4E (0.46) KDM4EGAAHPGDALDH1A1TSHR

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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB LMNA 2722/4885KDM4E 1701/4885GAA 839/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 LMNA 4130/4885KDM4E 2957/4885GAA 3410/4885

“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.