SCHEMBL18689397

SCHEMBL18689397

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ PSEN1 P49768 2/20 0.43
▸ PSEN2 P49810 2/20 0.43
▸ APH1B Q8WW43 2/20 0.43
▸ NCSTN Q92542 2/20 0.43
▸ APH1A Q96BI3 2/20 0.43
▸ PSENEN Q9NZ42 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TNF P01375 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ KDR P35968 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
SCHEMBL18688794 0.94 MAPT (0.50) TP53LMNAMAPTPOLBKMT2A
SCHEMBL18689406 0.91 SLC1A3 (0.54) TP53LMNAMAPTPOLBKMT2A
SCHEMBL18689403 0.84 MAPT (0.51) TP53LMNAMAPTPOLBKMT2A
SCHEMBL18688797 0.83 MEN1 (0.46) LMNAKMT2ATSHRKDM4EALDH1A1
SCHEMBL18689398 0.83 POLB (0.50) TP53LMNAMAPTPOLBKMT2A
SCHEMBL18689411 0.83 THRB (0.49) TP53LMNAMAPTPOLBKMT2A
SCHEMBL18688805 0.83 MAPT (0.54) TP53MAPTPOLBKMT2ATSHR
SCHEMBL19425667 0.82 LMNA (0.61) TP53LMNAMAPTPOLBKMT2A
SCHEMBL18688796 0.82 ALDH1A1 (0.50) TP53LMNAMAPTPOLBKMT2A
SCHEMBL18688793 0.82 RXFP1 (0.48) LMNAMAPTKMT2ATSHRL3MBTL1

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 TP53 536/4885LMNA 3027/4885MAPT 1926/4885
US-20180215721-A1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS TEAD1, TEAD2, TEAD3 TP53 536/4885LMNA 3027/4885MAPT 1926/4885

“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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