SCHEMBL13519643

SCHEMBL13519643

COCCCNCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 7/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.36
PIK3CD O00329 1/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
SAT1 P21673 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL27137259 0.93 KDM4E (0.42) KDM4EMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL438704 0.86 L3MBTL1 (0.40) KDM4EALDH1A1TSHRPIK3CDHTT
SCHEMBL29343849 0.84 KDM4E (0.38) KDM4EMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL4159314 0.83 MAPK1 (0.48) KDM4EMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL11932518 0.82 KDM4E (0.39) KDM4EMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL16295717 0.81 KDM4E (0.38) KDM4EMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL29185385 0.80 MAPK1 (0.39) KDM4EMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL10045133 0.80 CYP2C19 (0.45) CYP1A2CYP2C19ALDH1A1TSHRLMNA
SCHEMBL14707752 0.79 ALDH1A1 (0.40) KDM4EMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL13519636 0.78 KDM4E (0.42) KDM4EMAPK1ALDH1A1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180333-B1 PROCESS FOR LARGE SCALE PRODUCTION OF 1-ISOPROPYL-3-{5- [1-(3-METHOXYPROPYL) PIPERIDIN-4-YL]-[1,3,4]OXADIAZOL-2-YL}-1H-INDAZOLE OXALATE SUVEN LIFE SCIENCES LTD (IN) 2020-07-08 EP disclosed
US-7642245-B2 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2010-01-05 US disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 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-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 KDM4E 1853/4885MAPK1 3794/4885CYP1A2 2596/4885

“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.