SCHEMBL1928638

SCHEMBL1928638

CCCCC(NC(=O)O)(c1nc(-c2ccccc2)c[nH]1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.39
ADORA3 P0DMS8 3/20 0.37
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GSK3A P49840 1/20 0.34
SYK P43405 1/20 0.34
DHODH Q02127 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 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
SCHEMBL1929441 0.97 ADORA1 (0.38) ADORA1ADORA3KDM4ELMNAMAPT
SCHEMBL1928371 0.96 ADORA1 (0.37) ADORA1ADORA3KDM4ELMNAMAPT
SCHEMBL1929229 0.93 ADORA1 (0.36) ADORA1ADORA3KDM4EMAPTALDH1A1
SCHEMBL1927825 0.88 ADORA3 (0.35) ADORA1ADORA3KDM4ELMNASMN1; SMN2
SCHEMBL5442720 0.86 SMPD1 (0.35) ADORA1ADORA3KDM4ELMNASMN1; SMN2
SCHEMBL1928645 0.86 PPARG (0.36) KDM4ELMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL1927157 0.84 CASP3 (0.39) ADORA3LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL1927432 0.78 HPGDS (0.35) ADORA1MAPTALDH1A1ADORA2A
SCHEMBL2362157 0.78 ALDH1A1 (0.42) ADORA1ADORA3LMNAALDH1A1ADORA2A
SCHEMBL1927241 0.75 ALDH1A1 (0.40) ADORA1ADORA3KDM4EMAPTALDH1A1

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-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS IPSEN PHARMA S.A.S. (FR) 2011-07-14 US disclosed
US-7956075-B2 Thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives, e.g., butyl 2-(4-[1,1'-biphenyl]-4-yl-1H-imidazol-2-yl)ethylcarbamate inhibit lipidic peroxidation and monoamine oxidase and modulate sodium channels and are used for treating neurodegenerative disorders or pain. IPSEN PHARMA S.A.S. (FR) 2011-06-07 US disclosed
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2007-08-02 US disclosed
US-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SCRAS 2007-01-25 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-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, COMT ADORA1 424/4885ADORA3 309/4885KDM4E 3096/4885
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, SDHA ADORA1 819/4885ADORA3 473/4885KDM4E 3014/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 ADORA1 528/4885ADORA3 702/4885KDM4E 3911/4885

“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.