SCHEMBL12744441

SCHEMBL12744441

CNS(=O)(=O)CCn1cncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.44
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP19A1 P11511 2/20 0.34
FDPS P14324 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL20942667 0.81 EGLN3 (0.41) EGLN3ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL27134470 0.79 EGLN3 (0.52) EGLN3ALDH1A1MAPTSMN1; SMN2CYP19A1
SCHEMBL21887118 0.76 RELA (0.43) EGLN3
SCHEMBL27237561 0.76 EGLN3 (0.48) EGLN3ALDH1A1MAPTSMN1; SMN2CYP19A1
SCHEMBL23061188 0.74 EGLN3 (0.38) EGLN3ALDH1A1SMN1; SMN2CYP19A1KDM4E
SCHEMBL27134481 0.72 EGLN3 (0.48) EGLN3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL22685288 0.71 EGLN3 (0.44) EGLN3ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL18072463 0.71 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EPOLBLMNA
SCHEMBL12744440 0.71 LMNA (0.36) FDPSPOLBLMNAMEN1TSHR
SCHEMBL12744442 0.69 ADRA2A (0.32)

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
EP-3795568-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2021-03-24 EP disclosed
EP-3265456-B1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2020-11-18 EP disclosed
WO-2016144703-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2016-09-15 WO disclosed
US-7910611-B2 Therapeutic agent for restenosis KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-22 US disclosed
US-20100029625-A1 Therapeutic Agent for Restenosis KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-02-04 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 (1 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-20100029625-A1 Therapeutic Agent for Restenosis NR1H2, NR1H3, LDLR EGLN3 1744/4885ALDH1A1 1876/4885MAPT 4871/4885

“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.