SCHEMBL5772933

SCHEMBL5772933

O=C(CCc1cnoc1-c1ccc(F)cc1)NCc1ccco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
HPGD P15428 7/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
MITF O75030 1/20 0.49
TNF P01375 1/20 0.49
NOD2 Q9HC29 1/20 0.49
NOD1 Q9Y239 1/20 0.49
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.48
POLB P06746 6/20 0.48

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
SCHEMBL5774072 0.84 LMNA (0.54) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL5773900 0.78 CYP1A2 (0.52) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL5775471 0.78 HDAC3 (0.46) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL5773415 0.78 MTNR1A (0.38) ALDH1A1HPGDUSP2TSHRKDM4E
SCHEMBL5773408 0.77 LMNA (0.48) HPGDUSP2NPC1MAPK1RAB9A
SCHEMBL5773717 0.77 L3MBTL1 (0.52) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL5777386 0.77 LMNA (0.47) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL5769962 0.76 SMN1; SMN2 (0.41) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL5775822 0.76 HPGD (0.49) ALDH1A1HPGDMEN1KMT2AMAPK1
SCHEMBL5776524 0.76 EPHX2 (0.43) POLB

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 1588/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ALDH1A1 682/4885HPGD 1307/4885MEN1 2072/4885

“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.