SCHEMBL6501140

SCHEMBL6501140

O=C(O)c1cccc(N2CCN(c3ncccn3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ GAA P10253 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ KMO O15229 1/20 0.61
▸ MAPT P10636 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SLC6A7 Q99884 2/20 0.56
▸ TTR P02766 1/20 0.55
▸ MLYCD O95822 1/20 0.52
▸ HTR1A P08908 1/20 0.51
▸ ENPP2 Q13822 5/20 0.51

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
SCHEMBL32688379 0.84 ALDH1A1 (0.80) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL6798850 0.83 RAB9A (0.74) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL1517203 0.80 ALDH1A1 (1.00) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL29717077 0.80 ALDH1A1 (1.00) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL6498262 0.80 MAPT (0.54) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL28685766 0.80 ALDH1A1 (0.73) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL29631156 0.80 ALDH1A1 (0.73) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL3319386 0.80 ALDH1A1 (0.73) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL3105857 0.79 ALDH1A1 (0.96) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL1517128 0.79 ALDH1A1 (0.96) KDM4EALDH1A1HPGDMEN1GAA

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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 — — US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 — — EP 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 KDM4E 945/4885ALDH1A1 1967/4885HPGD 4069/4885

“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.

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