SCHEMBL855667

SCHEMBL855667

CCc1ccc(NCc2ccc(C(=O)N(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ HPGD P15428 4/20 0.58
▸ MAPT P10636 3/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ USP2 O75604 3/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ ALOX12 P18054 2/20 0.58
▸ APAF1 O14727 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ CASP1 P29466 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ CA1 P00915 3/20 0.54
▸ CA2 P00918 3/20 0.54

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
SCHEMBL4485529 0.85 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AEPHX2
SCHEMBL11413950 0.82 ALDH1A1 (0.69) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL25124451 0.80 SMN1; SMN2 (0.50) ALDH1A1HPGDMAPTMAPK1USP2
SCHEMBL8060137 0.79 MEN1 (0.80) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL22927824 0.76 EPHX2 (0.58) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL21628616 0.76 ALDH1A1 (0.76) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL9877236 0.75 CA1 (0.63) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL856089 0.75 GAA (0.62) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL11618011 0.75 EPHX2 (0.56) ALDH1A1HPGDMAPTMAPK1MEN1
SCHEMBL855663 0.75 ALDH1A1 (0.64) ALDH1A1HPGDMAPTMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 — — EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 — — EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 — — US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 — — US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 — — 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 ALDH1A1 2416/4885HPGD 3900/4885MAPT 205/4885

“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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