SCHEMBL1449686

SCHEMBL1449686

N[C@@H](CC1CCCCC1)C(=O)NCC(=O)NCC(=O)OC(=O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.40
USP30 Q70CQ3 1/20 0.39
METAP2 P50579 2/20 0.39
METAP1 P53582 2/20 0.39
PKM P14618 1/20 0.37
CIT O14578 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
CTSD P07339 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1449009 0.85 CIT (0.35) METAP2METAP1CIT
SCHEMBL1449532 0.83 AAK1 (0.35) METAP2METAP1CIT
SCHEMBL1449052 0.82 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AMETAP2METAP1
SCHEMBL266063 0.80 CTSS (0.43) MEN1KMT2AHPGDGAACYP1A2
SCHEMBL1449034 0.79 CTSL (0.47) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL1449614 0.78 TDP1 (0.52) KMT2ARAB9AHPGDMETAP2METAP1
SCHEMBL1449065 0.74 AAK1 (0.37) MEN1KMT2ANPC1RAB9AMETAP2
SCHEMBL1449763 0.74 TP53 (0.38) RAB9AGAAKDM4ECYP1A2
SCHEMBL20190470 0.72 HPGD (0.46) SMN1; SMN2MEN1KMT2AHPGDRECQL
SCHEMBL20190472 0.72 HPGD (0.46) SMN1; SMN2MEN1KMT2AHPGDRECQL

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
US-7910556-B2 PAR-2 agonist KOWA COMPANY, LTD. (JP) 2011-03-22 US disclosed
US-20090131330-A1 PAR-2 AGONIST KOWA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1845104-A1 PAR-2 AGONIST Kowa Company. Ltd. (JP) 2007-10-17 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-20090131330-A1 PAR-2 AGONIST F2RL1, CNR2, FFAR2 SMN1; SMN2 4044/4885MEN1 3212/4885KMT2A 2153/4885

“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.