SCHEMBL3466581

SCHEMBL3466581

Cc1ccc(-c2cnco2)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
PKM P14618 1/20 0.58
MAP4K4 O95819 1/20 0.56
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
NOTUM Q6P988 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTK2 Q05397 1/20 0.47
KEAP1 Q14145 1/20 0.45
AAK1 Q2M2I8 5/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
IMPDH2 P12268 2/20 0.42
IMPDH1 P20839 1/20 0.42
LTA4H P09960 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
SCHEMBL30292019 0.86 LMNA (0.58) LMNAPKMMAP4K4CYP11B1CYP11B2
SCHEMBL22170248 0.86 LMNA (0.58) LMNAPKMMAP4K4CYP11B1CYP11B2
SCHEMBL12117438 0.84 LMNA (0.63) LMNAPKMMAP4K4CYP11B1CYP11B2
SCHEMBL29458793 0.84 MAP4K4 (0.61) LMNAPKMMAP4K4CYP11B1CYP11B2
SCHEMBL24309122 0.84 MAP4K4 (0.61) LMNAPKMMAP4K4CYP11B1CYP11B2
SCHEMBL8227757 0.81 MAP4K4 (0.54) LMNAPKMMAP4K4CYP11B1CYP11B2
SCHEMBL12506711 0.79 LMNA (0.58) LMNAPKMMAP4K4CYP11B1CYP11B2
SCHEMBL8282019 0.79 MAP4K4 (0.56) LMNAPKMMAP4K4CYP11B1CYP11B2
SCHEMBL7260443 0.79 NOTUM (0.58) LMNAPKMMAP4K4CYP11B1CYP11B2
SCHEMBL16419070 0.79 IMPDH2 (0.56) LMNAPKMMAP4K4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031686-A1 PHENYL-OXAZOLYL DERIVATIVES, PREPARATION METHOD THEREOF, AND RELATED APPLICATION OF THE PHENYL-OXAZOLYL DERIVATIVES AS AN IMPDH INHIBITOR INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2015-01-29 US disclosed
CN-103304555-A Group of benzene-oxazolyl derivatives and preparation method as well as relevant application thereof as IMPDH (Inosine Monophosphate Dehydrogenase) inhibitor INST MEDICINAL BIOTECHNOLOGY 2013-09-18 CN disclosed
WO-2010085968-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS HIF-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-08-05 WO disclosed
WO-2010076034-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-07-08 WO 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-20150031686-A1 PHENYL-OXAZOLYL DERIVATIVES, PREPARATION METHOD THEREOF, AND RELATED APPLICATION OF THE PHENYL-OXAZOLYL DERIVATIVES AS AN IMPDH INHIBITOR IMPDH1, IMPDH2, IMPA1 LMNA 2857/4885PKM 212/4885MAP4K4 3348/4885

“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.