SCHEMBL21853643

SCHEMBL21853643

CCOC(=O)c1cnc2nc(Cl)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
DGAT1 O75907 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.41
P2RY12 Q9H244 1/20 0.41
PTPN11 Q06124 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 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
SCHEMBL20588279 0.86 MAOB (0.49) MAOBCYP2C9CYP2C19RAB9APKM
SCHEMBL20589348 0.84 MAOB (0.50) MAOBCYP2C9CYP2C19RAB9APTPN11
SCHEMBL30449077 0.83 MAOB (0.54) MAOBCYP2C9CYP2C19KDM4EPOLB
SCHEMBL20588431 0.81 ALDH1A1 (0.46) MAOBCYP2C9CYP2C19KDM4EL3MBTL1
SCHEMBL20588198 0.80 CYP2C9 (0.44) MAOBCYP2C9CYP2C19KDM4EL3MBTL1
SCHEMBL20589311 0.79 HPGDS (0.55) MAOBCYP2C9CYP2C19KDM4ERAB9A
SCHEMBL29843409 0.79 MAOB (0.47) MAOBCYP2C9CYP2C19KDM4ERAB9A
SCHEMBL1023778 0.79 MAOB (0.47) MAOBCYP2C9CYP2C19KDM4ERAB9A
SCHEMBL20589119 0.78 CYP2C9 (0.43) MAOBCYP2C9CYP2C19RAB9AL3MBTL1
SCHEMBL2204650 0.78 MAOB (0.65) MAOBCYP2C9CYP2C19KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149035-B2 Chemical compounds as H—PGDS inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DFVELOPMENT LIMITED (GB) 2021-10-19 US disclosed
US-11149035-B2 Chemical compounds as H—PGDS inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DFVELOPMENT LIMITED (GB) 2021-10-19 US disclosed
US-20200123152-A1 Chemical Compounds as H-PGDS Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-23 US disclosed
US-20200123152-A1 Chemical Compounds as H-PGDS Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-23 US disclosed
CN-110753692-A Chemical compounds as H-PGDS inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-02-04 CN 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-11149035-B2 Chemical compounds as H—PGDS inhibitors HPGDS, PTGS1, PTGIS MAOB 587/4885DGAT1 1564/4885CYP2C9 419/4885
US-20200123152-A1 Chemical Compounds as H-PGDS Inhibitors HPGDS, PTGS1, PTGIS MAOB 566/4885DGAT1 1567/4885CYP2C9 394/4885

“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.