SCHEMBL18688794

SCHEMBL18688794

O=C(CSc1nnc[nH]1)Nc1ccc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.50
▸ TP53 P04637 6/20 0.50
▸ TNF P01375 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.47
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A2 P43004 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ KMT2A Q03164 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42

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
SCHEMBL18689397 0.94 TP53 (0.44) MAPTTP53TNFNOD1SLC1A3
SCHEMBL18689403 0.92 MAPT (0.51) MAPTTP53ALDH1A1POLBKMT2A
SCHEMBL18689406 0.91 SLC1A3 (0.54) MAPTTP53TNFNOD1SLC1A3
SCHEMBL18689399 0.88 MAPT (0.50) MAPTTP53ALDH1A1POLBKMT2A
SCHEMBL18688805 0.88 MAPT (0.54) MAPTTP53SLC1A3SLC1A2SLC1A1
SCHEMBL18688798 0.85 KMT2A (0.51) MAPTTP53ALDH1A1KDM4EKMT2A
SCHEMBL18688797 0.82 MEN1 (0.46) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL18688791 0.82 KMT2A (0.50) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL18688795 0.81 LMNA (0.45) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL19425667 0.81 LMNA (0.61) MAPTTP53ALDH1A1KDM4EPOLB

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 536/4885TNF 4232/4885
US-20180215721-A1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS TEAD1, TEAD2, TEAD3 MAPT 1926/4885TP53 536/4885TNF 4232/4885

“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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