SCHEMBL19409296

SCHEMBL19409296

O=C1C(Br)=C(Oc2c(F)c(F)c(F)c(F)c2F)C(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
POLB P06746 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
NSD2 O96028 2/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
CDC25B P30305 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
BLM P54132 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CDC25A P30304 2/20 0.39
MAP2K7 O14733 1/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL19420525 0.91 AURKA (0.45) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL17594334 0.87 MAPT (0.46) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL19420531 0.77 CDC25B (0.43) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL1242175 0.77 CES2 (0.55) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL19420537 0.77 NSD2 (0.53) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL9850044 0.76 NSD2 (0.61) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL1242176 0.73 NSD2 (0.42) MAPTPOLBRAB9AALDH1A1NPC1
SCHEMBL9562528 0.71 MAPT (0.71) MAPTPOLBRAB9AALDH1A1NPC1
2,3-Dibromo-1,4-Naphthoquinone SCHEMBL1240837 0.71 MAPT (0.68) MAPTPOLBRAB9AALDH1A1NPC1
2,3-Dibromo-1,4-Naphthoquinone SCHEMBL29475349 0.71 MAPT (0.68) MAPTPOLBRAB9AALDH1A1NPC1

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 8 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

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 MAPT 2538/4885POLB 701/4885RAB9A 3443/4885
US-20190169122-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA KLK3, ACP3, NR5A1 MAPT 2538/4885POLB 701/4885RAB9A 3443/4885
US-20170283374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA KLK3, ACP3, NR5A1 MAPT 2538/4885POLB 701/4885RAB9A 3443/4885
US-10577315-B2 Compositions and methods for treatment of prostate carcinoma KLK3, ACP3, NR5A1 MAPT 2538/4885POLB 701/4885RAB9A 3443/4885

“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.