SCHEMBL492888

SCHEMBL492888

O=C(O)CNC(=O)c1nc(-c2ccc(Cl)cc2Cl)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 3/20 0.48
SHMT2 P34897 3/20 0.48
MME P08473 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP2C19 P33261 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 3/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MARS1 P56192 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 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
SCHEMBL493217 0.88 GCGR (0.49) MMEHDAC4HDAC6ALDH1A1GSK3B
SCHEMBL494459 0.82 HDAC4 (0.50) HDAC4HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL493785 0.81 CYP2C19 (0.41) CYP2C19RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL493024 0.80 CYP2C19 (0.47) MMECYP2C19NPC1RAB9AKMT2A
SCHEMBL493603 0.80 KMT2A (0.44) KMT2ASMN1; SMN2KDM4EMAPTEGLN1
SCHEMBL28816298 0.78 ALPL (0.50) HDAC4HDAC6NPC1RAB9AALDH1A1
SCHEMBL28816278 0.74 HTT (0.56) HDAC4HDAC6NPC1RAB9AKMT2A
SCHEMBL493104 0.74 POLB (0.46) KMT2AEGLN1VEGFAFLT1GSK3B
SCHEMBL493192 0.73 NPC1 (0.56) NPC1RAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL493401 0.72 ALDH1A1 (0.42) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD SHMT1 4438/4885SHMT2 4453/4885MME 1616/4885

“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.