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Sugi Predict / Compounds / SCHEMBL3255649

SCHEMBL3255649

SCHEMBL3255649

Cn1c(C(=O)O)cc2cccc([N+](=O)[O-])c21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.55
▸ MCL1 Q07820 4/20 0.50
▸ APEX1 P27695 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ POLB P06746 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ GPR35 Q9HC97 2/20 0.40

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
SCHEMBL28294933 0.82 CCR2 (0.55) CCR2MCL1APEX1TDP1TSHR
SCHEMBL27964872 0.82 CCR2 (0.58) CCR2MCL1APEX1TDP1TSHR
SCHEMBL17957134 0.82 TSHR (0.45) CCR2MCL1TDP1TSHRL3MBTL1
SCHEMBL7993476 0.82 CCR2 (0.64) CCR2MCL1APEX1TDP1TSHR
SCHEMBL3560535 0.81 NOD2 (0.48) CCR2POLBALDH1A1KDM4EHPGD
SCHEMBL11689553 0.79 CYP19A1 (0.55) CCR2APEX1TDP1ALDH1A1HPGD
SCHEMBL7879847 0.76 MCL1 (0.57) CCR2MCL1APEX1TDP1TSHR
SCHEMBL10233030 0.76 MCL1 (0.57) CCR2MCL1TSHRPOLBALDH1A1
SCHEMBL3229944 0.76 MCL1 (0.57) CCR2MCL1TSHRALDH1A1KDM4E
SCHEMBL13456549 0.75 MCL1 (0.56) CCR2MCL1TSHRPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 — — EP disclosed
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 — — EP disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
EP-1497278-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-01-19 — — EP disclosed
US-20030225053-A1 Compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 — — US disclosed
WO-2003087085-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-23 — — WO 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-20030225053-A1 Compounds useful in treating cytokine mediated diseases IL6, IL1A, IL1B CCR2 139/4885MCL1 1945/4885APEX1 2865/4885

“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.