SCHEMBL5118626

SCHEMBL5118626

Cn1c(C(=O)O)cc2cccc(Oc3ccnc(OCCN4CCCC4)n3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ GAA P10253 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL5110937 0.92 MEN1 (0.42) KMT2AMEN1KDM4EPOLBSIGMAR1
SCHEMBL5110935 0.88 HRH3 (0.35) KMT2AKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL5125545 0.87 TMEM97 (0.36) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5110670 0.85 ALDH1A1 (0.38) KDM4ESMN1; SMN2POLBALDH1A1CYP1A2
SCHEMBL5118461 0.84 TBXAS1 (0.46) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5110884 0.84 GSK3A (0.39) SIGMAR1
SCHEMBL5126231 0.83 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL5110189 0.81 RECQL (0.37) DRD2DRD3KMT2AMEN1KDM4E
SCHEMBL5124540 0.80 CHRM5 (0.36) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5118314 0.80 KDM4E (0.38) KMT2AMEN1KDM4EPOLBSIGMAR1

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 DRD2 3070/4885DRD3 3153/4885DRD1 2899/4885

“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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