SCHEMBL14857067

SCHEMBL14857067

C=C(C)c1cc(C(=O)N(C)Cc2ccc(C=O)cc2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
APP P05067 2/20 0.40
HSP90AA1 P07900 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
TSPO P30536 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
SCHEMBL15000773 0.93 KMT2A (0.45) KMT2AALOX5PTGS1PTGS2HPGD
SCHEMBL17923355 0.91 MAOA (0.44) KMT2AHPGDGAAMEN1ALDH1A1
SCHEMBL14991133 0.89 KMT2A (0.46) KMT2AALOX5PTGS1PTGS2HPGD
SCHEMBL14991150 0.87 KMT2A (0.44) KMT2AALOX5PTGS1PTGS2HPGD
SCHEMBL15004590 0.85 ALDH1A1 (0.39) KMT2AHPGDGAAMEN1ALDH1A1
SCHEMBL14991540 0.85 KMT2A (0.42) KMT2AALOX5PTGS1PTGS2HPGD
SCHEMBL15000771 0.84 KMT2A (0.41) KMT2AHPGDGAAMEN1ALDH1A1
SCHEMBL15000774 0.82 KMT2A (0.47) KMT2AALOX5PTGS1PTGS2HPGD
SCHEMBL3764722 0.81 HPGD (0.55) KMT2AHPGDGAAMEN1ALDH1A1
SCHEMBL14856549 0.80 KMT2A (0.39) KMT2AALOX5PTGS1PTGS2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580193-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD (GB) 2016-07-20 EP disclosed
US-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2016-07-07 US disclosed
US-9321718-B2 Benzamide derivatives and their use as HSP90 inhibtors CHROMA THERAPEUTICS LTD. (GB) 2016-04-26 US disclosed
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2013-06-06 US disclosed
EP-2580193-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS Chroma Therapeutics Ltd. (GB) 2013-04-17 EP disclosed
WO-2011154708-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD (GB) 2011-12-15 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 (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-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS HSP90AB1, HSP90AA1, HSP90AB2P KMT2A 4186/4885ALOX5 4348/4885PTGS1 340/4885
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS HSP90AB1, HSP90AA1, HSP90AB2P KMT2A 4186/4885ALOX5 4348/4885PTGS1 340/4885

“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.