SCHEMBL2199883

SCHEMBL2199883

COCCOCCOc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.45
BRD4 O60885 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 2/20 0.40
INSR P06213 2/20 0.40
MAPK8 P45983 2/20 0.40
CAMKK2 Q96RR4 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
CDC7 O00311 1/20 0.39
PTK2B Q14289 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL2200493 0.97 BRD4 (0.46) CHEK1BRD4KMT2AMEN1IKBKB
SCHEMBL2198470 0.87 BRD4 (0.47) BRD4SMN1; SMN2KMT2AMEN1IKBKB
SCHEMBL2282524 0.86 IKBKB (0.46) BRD4KMT2AIKBKBCHUKINSR
SCHEMBL2200749 0.86 BRD4 (0.52) CHEK1BRD4SMN1; SMN2KMT2AMEN1
SCHEMBL12509787 0.86 KMT2A (0.50) BRD4SMN1; SMN2KMT2AMEN1IKBKB
SCHEMBL2199427 0.85 MAPT (0.55) BRD4KMT2AMEN1IKBKBCHUK
SCHEMBL2195870 0.85 KDM4E (0.50) CHEK1BRD4KMT2AMEN1IKBKB
SCHEMBL2199893 0.85 BRD4 (0.42) BRD4SMN1; SMN2KMT2AMEN1IKBKB
SCHEMBL2199344 0.84 BRD4 (0.45) BRD4KMT2AMEN1IKBKBCHUK
SCHEMBL2201526 0.84 BRD4 (0.45) BRD4SMN1; SMN2KMT2AMEN1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 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-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS UACA, IL6, IL6ST CHEK1 4433/4885BRD4 497/4885SMN1; SMN2 4704/4885

“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.