SCHEMBL4852258

SCHEMBL4852258

COc1cc(Cl)ccc1NC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 1/20 0.58
LPAR1 Q92633 4/20 0.58
ALDH1A1 P00352 2/20 0.56
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
EPHX1 P07099 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC9A1 P19634 1/20 0.49
KCNMA1 Q12791 1/20 0.49
PYGL P06737 1/20 0.49

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
SCHEMBL1853287 0.86 LPAR1 (0.58) KDM4ELPAR1ALDH1A1MEN1KMT2A
SCHEMBL13695133 0.86 PKM (0.59) KDM4ELPAR1ALDH1A1MEN1KMT2A
SCHEMBL2386068 0.86 KMT2A (0.73) HSD17B10ALDH1A1MEN1KMT2AMAPK1
SCHEMBL27754464 0.85 LPAR1 (0.60) KDM4ELPAR1ALDH1A1MEN1KMT2A
SCHEMBL10624511 0.84 ALDH1A1 (0.78) KDM4ELPAR1ALDH1A1MEN1KMT2A
SCHEMBL9994970 0.83 KDM4E (0.55) KDM4EHSD17B10LPAR1ALDH1A1HSD17B1
SCHEMBL1504060 0.83 LPAR1 (0.56) KDM4ELPAR1ALDH1A1MEN1KMT2A
SCHEMBL25210284 0.83 ALDH1A1 (0.51) LPAR1ALDH1A1MEN1KMT2AEPHX1
SCHEMBL9400208 0.82 HSD17B1 (0.77) KDM4EHSD17B10ALDH1A1HSD17B1HSD17B2
SCHEMBL22158983 0.82 RORC (0.56) KDM4EHSD17B10LPAR1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
US-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors NOVARTIS AG (CH) 2007-03-15 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 (3 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A KDM4E 936/4885HSD17B10 108/4885LPAR1 4740/4885
US-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors MMP9, MMP1, MMP13 KDM4E 1602/4885HSD17B10 330/4885LPAR1 494/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 KDM4E 1406/4885HSD17B10 2543/4885LPAR1 2664/4885

“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.