SCHEMBL5118461

SCHEMBL5118461

Cn1c(C(=O)O)cc2cccc(Oc3ccnc(OCCn4ccnc4)n3)c21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 9/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL5114171 0.84 TBXAS1 (0.39) TBXAS1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL5118626 0.84 DRD2 (0.39) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL5110670 0.83 ALDH1A1 (0.38) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL5954423 0.82 ALDH1A1 (0.46) TBXAS1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL5126231 0.82 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5110937 0.81 MEN1 (0.42) KDM4EKMT2AMEN1
SCHEMBL14276226 0.79 BRAF (0.40) TBXAS1ALDH1A1HTT
SCHEMBL14276227 0.78 GSK3A (0.44) —
SCHEMBL5115191 0.77 ALOX5AP (0.40) ALDH1A1KDM4E
SCHEMBL5123585 0.77 MCL1 (0.40) ALDH1A1KDM4ELMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 — — US claimed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 — — EP claimed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 — — WO claimed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 — — US disclosed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 — — US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 — — 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-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 TBXAS1 363/4885ALDH1A1 1355/4885KDM4E 3493/4885

“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.

Send feedback