SCHEMBL1272231

SCHEMBL1272231

COc1ccc(-c2ccc(N)c(N)c2C(F)(F)F)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ THRB P10828 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ PDK2 Q15119 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ DYRK1A Q13627 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
SCHEMBL1272538 0.84 HSP90AA1 (0.45) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL1272193 0.83 HSP90AA1 (0.44) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL1272800 0.80 KDM4E (0.42) ALDH1A1MAPTKMT2ACYP3A4KDM4E
SCHEMBL1272136 0.78 TDO2 (0.46) ALDH1A1MAPTKMT2ACYP3A4KDM4E
SCHEMBL12326180 0.75 CA1 (0.50) ALDH1A1MAPTMEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL6574687 0.72 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL17200318 0.72 NOS3 (0.45) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL6011428 0.71 TDP1 (0.47) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL1673424 0.71 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL91981 0.71 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034526-A1 Benzimidazole Compounds WYETH LLC (US) 2011-02-10 — — US disclosed
EP-2231617-A1 BENZIMIDAZOLE COMPOUNDS Wyeth LLC (US) 2010-09-29 — — EP disclosed
WO-2009086138-A1 BENZIMIDAZOLE COMPOUNDS WYETH (US) 2009-07-09 — — WO 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-20110034526-A1 Benzimidazole Compounds NR1H4, NR1H2, NR1H3 ALDH1A1 683/4885MAPT 4519/4885MEN1 3988/4885

“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.

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