SCHEMBL1612628

SCHEMBL1612628

C=Cc1ccc(Nc2cccc(C(=O)OC)c2O)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 8/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALOX15 P16050 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 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
SCHEMBL1610470 0.83 CXCR2 (0.48) CXCR2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1496803 0.83 CXCR2 (0.50) CXCR2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2443393 0.81 CXCR2 (0.49) CXCR2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2343124 0.81 ALDH1A1 (0.62) CXCR2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL13010896 0.77 CXCR2 (0.55) CXCR2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL5689275 0.69 NPC1 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL1549413 0.69 CXCR2 (0.49) CXCR2ALDH1A1KDM4ESMN1; SMN2ALOX15
SCHEMBL1549254 0.69 CXCR2 (0.49) CXCR2ALDH1A1KDM4ELMNAALOX15
SCHEMBL5198420 0.69 KDM4E (0.57) CXCR2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3242056 0.69 MAPK1 (0.59) ALDH1A1KDM4ELMNAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264031-B1 A NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND A USE THEREOF DAE WOONG PHARMA (KR) 2015-04-15 — — EP disclosed
US-8362012-B2 Benzoxazine benzimidazole derivative, a pharmaceutical composition comprising the same, and a use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-01-29 — — US disclosed
US-20110086849-A1 NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND AUSE THEREOF DAEWOONG PHARMACEUTICALS CO., LTD. (KR) 2011-04-14 — — US disclosed
EP-2264031-A2 A NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND A USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-12-22 — — 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-20110086849-A1 NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND AUSE THEREOF TRPV1, HRH4, TRPV4 CXCR2 1573/4885ALDH1A1 333/4885KDM4E 799/4885

“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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