SCHEMBL18689399

SCHEMBL18689399

O=C(CSc1nnc[nH]1)Nc1ccc(-c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.50
▸ TP53 P04637 5/20 0.48
▸ POLB P06746 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MITF O75030 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL18689403 0.96 MAPT (0.51) MAPTTP53POLBTDP1KMT2A
SCHEMBL18688805 0.95 MAPT (0.54) MAPTTP53POLBKMT2AMEN1
SCHEMBL18688795 0.92 LMNA (0.45) MAPTTDP1KMT2AMEN1HTT
SCHEMBL18689423 0.89 KMT2A (0.49) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL18688798 0.89 KMT2A (0.51) MAPTTP53KMT2AMEN1LMNA
SCHEMBL18688794 0.88 MAPT (0.50) MAPTTP53POLBTDP1KMT2A
SCHEMBL18689406 0.87 SLC1A3 (0.54) MAPTTP53POLBTDP1KMT2A
SCHEMBL18688797 0.86 MEN1 (0.46) KMT2AMEN1HTTSMN1; SMN2LMNA
SCHEMBL18688791 0.86 KMT2A (0.50) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL18688793 0.84 RXFP1 (0.48) MAPTTDP1KMT2AMEN1HTT

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 MAPT 1926/4885TP53 536/4885POLB 1930/4885
US-20180215721-A1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS TEAD1, TEAD2, TEAD3 MAPT 1926/4885TP53 536/4885POLB 1930/4885

“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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