SCHEMBL5956548

SCHEMBL5956548

O=C(Cc1ccnc(-c2ccc(N3CCOCC3)cc2)c1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
KDM1A O60341 2/20 0.48
MAPT P10636 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BRD9 Q9H8M2 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
TGFBR1 P36897 3/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGDS O60760 1/20 0.42
CBFB Q13951 1/20 0.42
LMNA P02545 1/20 0.42
PLOD2 O00469 1/20 0.41
PLOD3 O60568 1/20 0.41
PLOD1 Q02809 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL5790926 0.86 HDAC1 (0.46) HDAC1KDM1AMAPTNPC1RAB9A
SCHEMBL6181106 0.81 WNT3A (0.48) KMT2ALMNAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL6181580 0.79 WNT3A (0.45) HDAC1KDM1ANPC1RAB9AMEN1
SCHEMBL6182297 0.79 TGFBR1 (0.44) NPC1RAB9AMEN1KMT2ATGFBR1
SCHEMBL6182682 0.79 MAP4K4 (0.47) NPC1RAB9AKMT2ATGFBR1LMNA
SCHEMBL5956434 0.79 HDAC1 (0.53) HDAC1KDM1AMAPTNPC1RAB9A
SCHEMBL6179073 0.78 TLR7 (0.47) MAPTNPC1RAB9APKMMEN1
SCHEMBL6180198 0.77 TGFBR1 (0.47) NPC1RAB9APKMMEN1KMT2A
SCHEMBL6184116 0.77 TRPV1 (0.48) HDAC1KDM1AMEN1KMT2ATGFBR1
SCHEMBL6180356 0.77 RAB9A (0.48) HDAC1KDM1AMAPTNPC1RAB9A

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-1730049-A1 COSMETIC PORTION Henkel Kommanditgesellschaft auf Aktien (DE) 2006-12-13 EP disclosed
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US disclosed
US-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 US disclosed
WO-2005085089-A1 COSMETIC PORTION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-09-15 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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors SMAD2, SMAD3, ALK HDAC1 1275/4885KDM1A 1516/4885MAPT 1496/4885
US-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 HDAC1 1234/4885KDM1A 2586/4885MAPT 697/4885

“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.