SCHEMBL9850044

SCHEMBL9850044

O=C1C(Br)=C(Oc2ccccc2)C(=O)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.61
HSP90AA1 P07900 1/20 0.61
HKDC1 Q2TB90 1/20 0.61
TLR9 Q9NR96 1/20 0.61
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
NAT1 P18440 2/20 0.50
GAPDH P04406 1/20 0.50
POLB P06746 4/20 0.48
MAPT P10636 4/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
ADORA2A P29274 1/20 0.44
CDC25B P30305 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
BLM P54132 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
SCHEMBL19420537 0.94 NSD2 (0.53) NSD2HSP90AA1HKDC1TLR9CES2
SCHEMBL6256773 0.87 LTA4H (0.50) NSD2HSP90AA1HKDC1TLR9CES2
SCHEMBL1242175 0.85 CES2 (0.55) NSD2HSP90AA1HKDC1TLR9CES2
SCHEMBL1802680 0.85 NSD2 (0.73) NSD2HSP90AA1HKDC1TLR9CES2
SCHEMBL1242176 0.81 NSD2 (0.42) NSD2HSP90AA1HKDC1TLR9CES2
Anthraquinone SCHEMBL28596353 0.78 MEN1 (0.63) NSD2HSP90AA1HKDC1TLR9CES2
SCHEMBL19409296 0.76 MAPT (0.44) NSD2HSP90AA1HKDC1TLR9CES2
SCHEMBL9562528 0.75 MAPT (0.71) NSD2HKDC1POLBMAPTRAB9A
2,3-Dibromo-1,4-Naphthoquinone SCHEMBL29475349 0.75 MAPT (0.68) NSD2CES2CES1POLBMAPT
2,3-Dibromo-1,4-Naphthoquinone SCHEMBL1240837 0.75 MAPT (0.68) NSD2CES2CES1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577315-B2 Compositions and methods for treatment of prostate carcinoma PELLFICURE PHARMACEUTICALS, INC. (US) 2020-03-03 US disclosed
US-10577315-B2 Compositions and methods for treatment of prostate carcinoma PELLFICURE PHARMACEUTICALS, INC. (US) 2020-03-03 US disclosed
US-20190169122-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS 2019-06-06 US disclosed
US-20190169122-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS 2019-06-06 US disclosed
US-10093620-B2 Compositions and methods for treatment of prostate carcinoma PELLFICURE PHARMACEUTICALS, INC. (US) 2018-10-09 US disclosed
US-20170283374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. 2017-10-05 US disclosed
US-20170283374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. 2017-10-05 US disclosed
US-20170283374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. 2017-10-05 US disclosed
EP-3191087-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA Pellficure Pharmaceuticals, Inc. (US) 2017-07-19 EP disclosed
WO-2016040896-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. (US) 2016-03-17 WO disclosed
EP-0410172-A2 2-Halogeno-3-phenoxy-1,4-naphthoquinone derivatives BAYER AG (DE) 1991-01-30 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 (4 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-10093620-B2 Compositions and methods for treatment of prostate carcinoma KLK3, ACP3, NR5A1 NSD2 2207/4885HSP90AA1 264/4885HKDC1 508/4885
US-20190169122-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA KLK3, ACP3, NR5A1 NSD2 2207/4885HSP90AA1 264/4885HKDC1 508/4885
US-20170283374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA KLK3, ACP3, NR5A1 NSD2 2207/4885HSP90AA1 264/4885HKDC1 508/4885
US-10577315-B2 Compositions and methods for treatment of prostate carcinoma KLK3, ACP3, NR5A1 NSD2 2207/4885HSP90AA1 264/4885HKDC1 508/4885

“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.