SCHEMBL5776152

SCHEMBL5776152

O=C(CCc1cnoc1-c1ccc(F)cc1)Nc1nccs1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
HPGD P15428 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
PKM P14618 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL5773560 0.89 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1PKMTSHR
SCHEMBL5777386 0.79 LMNA (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL5773693 0.78 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL5771249 0.77 RAB9A (0.51) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL5769962 0.76 SMN1; SMN2 (0.41) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5773931 0.76 CYP11B1 (0.44) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL5773415 0.76 MTNR1A (0.38) ALDH1A1HPGDSMN1; SMN2TP53TSHR
SCHEMBL5773332 0.75 CNR2 (0.51) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5773575 0.75 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL5773998 0.75 FFAR1 (0.46) ALDH1A1HPGDL3MBTL1SMN1; SMN2ALOX15

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 ALDH1A1 1045/4885HPGD 1588/4885L3MBTL1 2718/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ALDH1A1 682/4885HPGD 1307/4885L3MBTL1 1898/4885

“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.