SCHEMBL6289079

SCHEMBL6289079

O=C(CCc1ccccc1)NCCCO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.72
HPGD P15428 2/20 0.71
GAA P10253 2/20 0.68
LMNA P02545 2/20 0.68
KDM4E B2RXH2 1/20 0.68
HDAC2 Q92769 4/20 0.63
HDAC8 Q9BY41 4/20 0.63
HDAC6 Q9UBN7 4/20 0.63
HDAC1 Q13547 4/20 0.63
TSHR P16473 1/20 0.62
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61
MEN1 O00255 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
HDAC3 O15379 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
NCOR2 Q9Y618 2/20 0.59
HDAC4 P56524 1/20 0.59

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
SCHEMBL7778138 0.95 HPGD (0.74) L3MBTL1HPGDGAALMNAKDM4E
SCHEMBL17589255 0.93 HPGD (0.72) L3MBTL1HPGDGAALMNAKDM4E
SCHEMBL8744900 0.89 HPGD (0.81) L3MBTL1HPGDGAALMNAKDM4E
SCHEMBL3681101 0.89 CNR2 (0.68) L3MBTL1HPGDGAALMNAKDM4E
SCHEMBL9829299 0.86 LMNA (0.77) L3MBTL1HPGDGAALMNAKDM4E
SCHEMBL6290032 0.86 L3MBTL1 (0.72) L3MBTL1HPGDGAALMNAKDM4E
SCHEMBL2186352 0.85 HDAC2 (0.72) L3MBTL1HPGDGAALMNAKDM4E
SCHEMBL999773 0.85 L3MBTL1 (0.70) L3MBTL1HPGDGAALMNAKDM4E
SCHEMBL4636200 0.85 L3MBTL1 (0.70) L3MBTL1HPGDGAALMNAKDM4E
SCHEMBL5611877 0.85 L3MBTL1 (0.70) L3MBTL1HPGDGAALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 US disclosed
US-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors ALLEN DARIN ARTHUR (US) 2003-12-18 US disclosed
US-20030225036-A1 Non-amidine containing protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-12-04 US disclosed
EP-1265897-A1 NON-AMIDINE CONTAINING PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-18 EP disclosed
EP-1242366-A1 SALICYLAMIDES AS SERINE PROTEASE AND FACTOR XA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-09-25 EP disclosed
US-20020052343-A1 Salicylamides as serine protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-05-02 US disclosed
EP-1140859-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-10-10 EP disclosed
WO-2001070743-A1 NON-AMIDINE CONTAINING PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-27 WO disclosed
WO-2001044172-A1 SALICYLAMIDES AS SERINE PROTEASE AND FACTOR XA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-06-21 WO disclosed
WO-2000035886-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-06-22 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 (3 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-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors TFPI, HABP2, PLAT L3MBTL1 2707/4885HPGD 894/4885GAA 906/4885
US-20030225036-A1 Non-amidine containing protease inhibitors TFPI, SERPINE1, HABP2 L3MBTL1 3163/4885HPGD 568/4885GAA 1891/4885
US-20020052343-A1 Salicylamides as serine protease inhibitors TFPI, SERPINE1, HABP2 L3MBTL1 2621/4885HPGD 966/4885GAA 1240/4885

“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.