SCHEMBL18689398

SCHEMBL18689398

CC(C)(C)c1ccc(-c2ccc(NC(=O)CSc3nnc[nH]3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ BLM P54132 1/20 0.50
▸ TP53 P04637 3/20 0.47
▸ KIF11 P52732 1/20 0.46
▸ THRB P10828 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ESR2 Q92731 1/20 0.41

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
SCHEMBL18689391 0.96 POLB (0.48) POLBTDP1BLMTP53THRB
SCHEMBL18688805 0.85 MAPT (0.54) POLBTP53KMT2AHTTMEN1
SCHEMBL18688793 0.84 RXFP1 (0.48) TDP1THRBKMT2AHTTMEN1
SCHEMBL18689411 0.84 THRB (0.49) POLBTP53THRBKMT2AHTT
SCHEMBL18689397 0.83 TP53 (0.44) POLBTP53THRBKMT2AMEN1
SCHEMBL18688796 0.83 ALDH1A1 (0.50) POLBTDP1TP53THRBKMT2A
SCHEMBL18689405 0.83 ESR2 (0.45) POLBTDP1TP53THRBMAPT
SCHEMBL18689403 0.82 MAPT (0.51) POLBTDP1TP53KMT2AHTT
SCHEMBL18689399 0.81 MAPT (0.50) POLBTDP1TP53KMT2AHTT
SCHEMBL18688797 0.81 MEN1 (0.46) KMT2AHTTMEN1LMNASMN1; SMN2

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
EP-3353156-B1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2021-11-03 — — EP disclosed
US-10696642-B2 TEAD transcription factor autopalmitoylation inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2020-06-30 — — US disclosed
US-20180215721-A1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS THE GENERAL HOSPITAL CORPORATION 2018-08-02 — — US disclosed
WO-2017053706-A1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2017-03-30 — — 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 (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-10696642-B2 TEAD transcription factor autopalmitoylation inhibitors TEAD1, TEAD2, TEAD3 POLB 1930/4885TDP1 1135/4885BLM 3208/4885
US-20180215721-A1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS TEAD1, TEAD2, TEAD3 POLB 1930/4885TDP1 1135/4885BLM 3208/4885

“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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