SCHEMBL5263040

SCHEMBL5263040

COc1cccc(C(=O)N2CCCCC2)c1N

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.55
SCN9A Q15858 3/20 0.53
TSHR P16473 2/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL2535573 0.84 HTT (0.88) HTTKMT2AMEN1TSHRLMNA
SCHEMBL28780179 0.84 KMT2A (0.70) HTTKMT2AMEN1SCN9ALMNA
SCHEMBL2540114 0.83 HTT (0.90) HTTKMT2AMEN1SCN9ATSHR
SCHEMBL26559708 0.80 HTT (0.61) HTTKMT2AMEN1SCN9ATSHR
SCHEMBL29944122 0.80 KMT2A (0.63) HTTKMT2AMEN1TSHRLMNA
SCHEMBL13977436 0.79 HTT (0.73) HTTKMT2AMEN1SCN9ATSHR
SCHEMBL16109104 0.78 HTT (0.62) HTTKMT2AMEN1SCN9ATSHR
SCHEMBL10156660 0.77 HPGD (0.67) HTTKMT2AMEN1TSHRLMNA
SCHEMBL10991053 0.76 KMT2A (0.70) HTTKMT2ATSHRLMNAHPGD
SCHEMBL19766699 0.76 HTT (0.90) HTTKMT2ATSHRLMNAGAA

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-20070238763-A1 Urea derivatives as integrin a4 antagonists LABORATORIOS ALMIRALL, S.A. 2007-10-11 US disclosed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP disclosed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US disclosed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US disclosed
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 EP disclosed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 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 (2 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-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 HTT 4701/4885KMT2A 3371/4885MEN1 4288/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 HTT 4657/4885KMT2A 4075/4885MEN1 4689/4885

“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.