SCHEMBL13619894

SCHEMBL13619894

CC1(C)c2ccccc2N(CCOCCBr)C12C=Nc1c(c(CBr)cc3ccccc13)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
THRB P10828 5/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALOX12 P18054 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 2/20 0.46
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
RECQL P46063 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL13619826 0.97 MAPT (0.48) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619849 0.93 MAPT (0.44) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL14428008 0.91 MAPT (0.42) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL14427984 0.91 MAPT (0.42) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL14439761 0.89 KDM4E (0.41) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619843 0.88 MAPT (0.48) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL14439732 0.88 KDM4E (0.40) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619804 0.87 MAPT (0.40) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619789 0.87 MAPT (0.48) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL14427992 0.87 MAPT (0.48) MAPTTHRBKDM4ESMN1; SMN2ALOX12

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-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 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-20070195309-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 MAPT 1551/4885THRB 4313/4885KDM4E 2669/4885
US-20090280060-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 MAPT 1551/4885THRB 4313/4885KDM4E 2669/4885

“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.