SCHEMBL3465416

SCHEMBL3465416

CCOc1cc2c(cc1Br)OCO2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.45
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AOC3 Q16853 1/20 0.41
MEN1 O00255 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 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
SCHEMBL8133665 0.82 CYP3A4 (0.44) KMT2AMAPTMEN1ALDH1A1HSD17B10
SCHEMBL26365975 0.79 TSHR (0.50) IGF1RKMT2AMAPTAOC3MEN1
SCHEMBL5997064 0.79 LMNA (0.55) KMT2AMAPTMEN1MAPK1POLB
SCHEMBL10967724 0.77 LMNA (0.57) KMT2AMAPTSMN1; SMN2MEN1TDP1
SCHEMBL24299896 0.76 IGF1R (0.44) IGF1RKMT2AMAPTSMN1; SMN2AOC3
SCHEMBL29988382 0.76 HPGD (0.40) KMT2AMAPTMEN1MAPK1L3MBTL1
SCHEMBL23611557 0.76 HPGD (0.40) KMT2AMAPTMEN1MAPK1L3MBTL1
SCHEMBL5383789 0.75 DHFR (0.50) IGF1RKMT2AMAPTSMN1; SMN2AOC3
SCHEMBL9789581 0.75 MAOB (0.59) KMT2AMAPTTP53SMN1; SMN2TDP1
SCHEMBL24299988 0.74 IGF1R (0.42) IGF1RKMT2AAOC3MEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
EP-2183221-A1 NEW COMPOUNDS AS HSP90 INHIBITORS Crystax Pharmaceuticals S.L. (ES) 2010-05-12 EP disclosed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 WO disclosed
US-4876270-A INSECTICIDES, MITICIDES, PARASITICIDES CIBA-GEIGY CORPORATION (US) 1989-10-24 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 (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-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 IGF1R 2647/4885KMT2A 4661/4885MAPT 1807/4885

“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.