SCHEMBL5116154

SCHEMBL5116154

ON=Cc1c(F)cccc1OCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 2/20 0.43
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PKM P14618 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
THRB P10828 1/20 0.34
G6PD P11413 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
SCHEMBL5116151 1.00 ALDH1A1 (0.43) ALDH1A1LMNAUSP2HPGDMAPT
SCHEMBL5113698 0.80 MEN1 (0.37) ALDH1A1LMNAUSP2HPGDMAPT
SCHEMBL10422412 0.79 LMNA (0.43) ALDH1A1LMNAUSP2HPGDMAPT
SCHEMBL10422411 0.79 LMNA (0.43) ALDH1A1LMNAUSP2HPGDMAPT
SCHEMBL5128533 0.78 ALDH1A1 (0.43) ALDH1A1LMNAUSP2HPGDMAPT
SCHEMBL5128531 0.78 ALDH1A1 (0.43) ALDH1A1LMNAUSP2HPGDMAPT
SCHEMBL1478419 0.76 HPGD (0.53) ALDH1A1LMNAUSP2HPGDMAPT
SCHEMBL1478416 0.76 HPGD (0.53) ALDH1A1LMNAUSP2HPGDMAPT
SCHEMBL7222223 0.76 HPGD (0.53) ALDH1A1LMNAUSP2HPGDMAPT
SCHEMBL20148150 0.74 POLB (0.44) ALDH1A1LMNAUSP2HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US disclosed
EP-1856114-B1 BENZISOXAZOLE DERIVATIVES PFIZER (US) 2014-08-20 EP disclosed
US-20080207690-A1 Benzisoxazole Derivatives RAQUALIA PHARMA INC. (JP) 2008-08-28 US disclosed
EP-1856114-A1 BENZISOXAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-11-21 EP disclosed
WO-2006090224-A1 BENZISOXAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-08-31 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-20080207690-A1 Benzisoxazole Derivatives BRS3, MRGPRX4, HTR4 ALDH1A1 2125/4885LMNA 2769/4885USP2 4697/4885

“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.