SCHEMBL4092172

SCHEMBL4092172

CCOC(=O)c1[nH]c2cc(Br)sc2c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALOX15 P16050 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38

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
SCHEMBL23293695 0.86 KDM4E (0.45) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL1710999 0.82 ALOX15 (0.53) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL4092418 0.79 ALDH1A1 (0.42) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL15841317 0.75 KDM4E (0.45) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL15850381 0.73 GAA (0.46) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL333983 0.73 ALDH1A1 (0.53) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL1244590 0.71 RAB9A (0.51) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL17495050 0.70 MAPT (0.55) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL1243936 0.69 TUBB4A (0.44) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL20846213 0.69 ALDH1A1 (0.51) KDM4EALDH1A1MAPTHPGDNPC1

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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES KDM4E 583/4885ALDH1A1 2718/4885MAPT 54/4885

“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.