SCHEMBL5280753

SCHEMBL5280753

O=C(CC1CCCCC1)Nc1cc(C(=O)O)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALPL P05186 1/20 0.51
POLB P06746 1/20 0.51
EPHX2 P34913 4/20 0.50
HCAR2 Q8TDS4 2/20 0.44
P2RX7 Q99572 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
AAK1 Q2M2I8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ASPH Q12797 1/20 0.42
RIOX2 Q8IUF8 1/20 0.42
KDM8 Q8N371 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL27728251 0.77 KDM4E (0.52) KMT2AMEN1POLBKDM4ECYP1A2
SCHEMBL4648610 0.72 HCAR2 (0.47) HCAR2NPC1RAB9AKDM4EASPH
SCHEMBL6387982 0.72 KMT2A (0.42) KMT2AMEN1ALPLPOLBEPHX2
SCHEMBL6387978 0.72 KMT2A (0.42) KMT2AMEN1ALPLPOLBEPHX2
SCHEMBL5279554 0.71 HCAR2 (0.49) HCAR2KDM4ESMN1; SMN2HPGDTSHR
SCHEMBL1950761 0.71 EPHX2 (0.72) KMT2AMEN1ALPLPOLBEPHX2
SCHEMBL5008206 0.70 HCAR2 (0.54) KMT2AMEN1EPHX2HCAR2KDM4E
SCHEMBL10763486 0.70 EPHX2 (0.61) KMT2AMEN1EPHX2NPC1RAB9A
SCHEMBL13933304 0.70 HCAR2 (0.53) HCAR2KDM4E
SCHEMBL4648618 0.69 HCAR3 (0.49) HCAR2KDM4EASPHRIOX2KDM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778652-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS EntreMed, Inc. (US) 2007-05-02 EP disclosed
US-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists ENTREMED, INC. 2006-03-23 US disclosed
WO-2006023844-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2006-03-02 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 (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-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists F2RL1, PLAUR, F2R KMT2A 3771/4885MEN1 4496/4885ALPL 3262/4885

“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.