SCHEMBL6706845

SCHEMBL6706845

O=C(Cn1ccc2ccccc21)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
RAB9A P51151 3/20 0.55
MGAM O43451 1/20 0.55
AMY1A P0DUB6 1/20 0.55
GAA P10253 1/20 0.55
SI P14410 1/20 0.55
MGAM2 Q2M2H8 1/20 0.55
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
CXCR3 P49682 2/20 0.50
GSK3B P49841 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.48
CDK4 P11802 4/20 0.47
CCND1 P24385 4/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL6709339 0.85 MAPT (0.61) KMT2ARAB9AMGAMAMY1AGAA
SCHEMBL29420405 0.75 KMT2A (1.00) KMT2AHDAC1HDAC2HDAC10HDAC8
SCHEMBL1598786 0.75 KMT2A (1.00) KMT2AHDAC1HDAC2HDAC10HDAC8
SCHEMBL30074152 0.74 KMT2A (0.71) KMT2AHDAC1HDAC2HDAC10HDAC8
SCHEMBL9701534 0.74 KMT2A (0.71) KMT2AHDAC1HDAC2HDAC10HDAC8
Hydrochloric Acid SCHEMBL25303352 0.74 KMT2A (0.96) KMT2AHDAC1HDAC2HDAC10HDAC8
SCHEMBL29955957 0.74 KMT2A (0.71) KMT2AHDAC1HDAC2HDAC10HDAC8
SCHEMBL16286740 0.74 KMT2A (0.71) KMT2AHDAC1HDAC2HDAC10HDAC8
SCHEMBL1519806 0.74 KMT2A (0.71) KMT2AHDAC1HDAC2HDAC10HDAC8
SCHEMBL6202723 0.74 RAB9A (0.70) KMT2ARAB9AMGAMAMY1AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040067998-A1 Antifungal and/or antiparasitic pharmaceutical composition and novel indole derivatives as active principle of such a composition YANG JI CHEMICAL COMPANY LTD (KR) 2004-04-08 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-20040067998-A1 Antifungal and/or antiparasitic pharmaceutical composition and novel indole derivatives as active principle of such a composition IDO1, IDO2, TPH1 KMT2A 3567/4885RAB9A 3106/4885MGAM 187/4885

“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.