SCHEMBL4884440

SCHEMBL4884440

COc1ccc(-c2nn(C(=O)CI)cc2Oc2ccccc2Cl)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.39
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 3/20 0.37
BRD4 O60885 1/20 0.37
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.35
TLR9 Q9NR96 1/20 0.35

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
SCHEMBL4881616 0.88 FFAR2 (0.41) FFAR2POLBMAPTGAATHRB
SCHEMBL4876502 0.71 CYP1A2 (0.41) MAPTGAALMNAALDH1A1SMN1; SMN2
SCHEMBL14649872 0.61 L3MBTL1 (0.57) MAPTALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL1407747 0.60 CYP1A2 (0.46) MAPTGAAALDH1A1KMT2ANPSR1
SCHEMBL14649873 0.60 L3MBTL1 (0.61) POLBMAPTGAALMNAALDH1A1
SCHEMBL9272421 0.60 CYP1A2 (0.63) MAPTGAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4029582 0.60 CYP1A1 (0.42) FFAR2POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL27451483 0.60 CA1 (0.59) MAPTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL11577282 0.58 KMT2A (0.63) MAPTGAALMNAALDH1A1SMN1; SMN2
SCHEMBL14649877 0.58 SLC6A4 (0.50) MAPTALDH1A1SMN1; SMN2SLC6A2SLC6A4

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-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 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-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators HSP90AB1, HSP90AA1, HSP90AB2P FFAR2 4354/4885POLB 3543/4885MAPT 2220/4885

“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.