SCHEMBL5517150

SCHEMBL5517150

O=C(Nc1ccccc1B(O)O)c1ccccc1C(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 4/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MRGPRX1 Q96LB2 1/20 0.40
LIPE Q05469 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PRMT5 O14744 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5982614 0.82 PDK1 (0.49) LMNAALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL14546116 0.79 ALDH1A1 (0.43) GAAMAPK1MAPTLMNAHTT
SCHEMBL5517512 0.79 KMT2A (0.57) LMNAHTTNPC1ALDH1A1HPGD
Water SCHEMBL27650613 0.78 LMNA (0.42) GAAMAPK1MAPTLMNAHTT
Water SCHEMBL27650615 0.78 HTT (0.42) GAAMAPK1MAPTLMNAHTT
SCHEMBL14523918 0.77 LMNA (0.45) GAAMAPK1MAPTLMNAHTT
SCHEMBL5523653 0.76 ALDH1A1 (0.43) GAAMAPK1MAPTLMNAHTT
SCHEMBL5523657 0.76 ALDH1A1 (0.43) GAAMAPK1MAPTLMNAHTT
SCHEMBL5518453 0.76 ALDH1A1 (0.61) GAALMNAHTTNPC1TP53
SCHEMBL5517427 0.75 GAA (0.44) GAAMAPK1MAPTLMNAHTT

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-20070082877-A1 Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof BAYER CORPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-20070082877-A1 Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof BAYER CORPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-20070082877-A1 Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof BAYER CORPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
EP-1628948-A1 DIFLUOROMETHYLBENZANILIDES AND USE THEREOF FOR COMBATING MICRO-ORGANISMS, INTERMEDIATE PRODUCTS AND USE THEREOF Bayer CropScience AG (DE) 2006-03-01 EP disclosed
WO-2004103953-A1 DIFLUOROMETHYLBENZANILIDES AND USE THEREOF FOR COMBATING MICRO-ORGANISMS, INTERMEDIATE PRODUCTS AND USE THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-02 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-20070082877-A1 Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof FBL, Q6ZSR9, DDT GAA 466/4885MAPK1 3495/4885MAPT 4244/4885

“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.