SCHEMBL19628291

SCHEMBL19628291

O=C(OCc1ccccc1)c1c(-c2ccc(Br)cc2O)[nH]c2ccc(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
MAPK10 P53779 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX5 P09917 11/20 0.48
PTGES O14684 6/20 0.48
CCNB2 O95067 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
GSK3B P49841 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
MDH2 P40926 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDK5 Q00535 1/20 0.41

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
SCHEMBL16920143 0.74 NR4A2 (0.61) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8657073 0.73 ALOX5 (0.54) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL23457841 0.73 TDP1 (0.67) KMT2AALDH1A1LMNAPTGESTDP1
SCHEMBL6315808 0.72 GAA (0.74) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1564758 0.70 KDM4E (0.54) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL903498 0.70 AR (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6168202 0.69 TDP1 (0.55) KMT2AALDH1A1LMNAALOX5TDP1
SCHEMBL22479069 0.68 AAK1 (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6316322 0.68 ALDH1A1 (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9741945 0.68 TDP1 (0.62) MAPTKMT2AALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065985-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS MERCK SHARPE & DOHME CORP. (US) 2018-03-08 US disclosed
US-20170334926-A1 PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-11-23 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 (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-20170334926-A1 PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS IDO1, IDO2, TPH1 MAPT 2778/4885MEN1 2722/4885KMT2A 2410/4885
US-20180065985-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS CYP1B1, CYP1A2, CYP2F1 MAPT 4031/4885MEN1 137/4885KMT2A 3849/4885

“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.