SCHEMBL5776130

SCHEMBL5776130

CON(C)C(=O)Nc1cnoc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
PTGS1 P23219 1/20 0.40
CSF1R P07333 1/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR3 Q9UBY5 1/20 0.39
NR4A2 P43354 2/20 0.36
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL10167099 0.82 LPAR1 (0.47) NTRK1MEN1KMT2APKMPTGS1
SCHEMBL5772191 0.75 LPAR1 (0.57) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL17532949 0.75 NTRK1 (0.53) NTRK1MEN1KMT2ATDP1PKM
SCHEMBL10669709 0.70 MEN1 (0.69) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11964996 0.70 TDO2 (0.53) NTRK1KMT2ATDP1PTGS1CSF1R
SCHEMBL13527916 0.70 PTGS1 (0.54) MEN1KMT2ARAB9APTGS1ALDH1A1
SCHEMBL9525742 0.68 RAB9A (0.57) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL23719170 0.67 NAMPT (0.44) MEN1KMT2APKMRAB9ALPAR1
SCHEMBL28306023 0.66 TSHR (0.41) NTRK1MEN1KMT2ARAB9APTGS1
SCHEMBL342802 0.66 LPAR1 (0.55) LPAR1LPAR3ALDH1A1LMNA

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
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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 (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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR NTRK1 4287/4885MEN1 2811/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 NTRK1 4129/4885MEN1 2072/4885KMT2A 2906/4885

“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.