SCHEMBL18688795

SCHEMBL18688795

O=C(CSc1nnc[nH]1)Nc1ccc(-c2cccc(-c3ccncc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ STAT3 P40763 1/20 0.44
▸ CYP2C9 P11712 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 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
SCHEMBL18688797 0.94 MEN1 (0.46) LMNAALDH1A1HTTHSD17B10PKM
SCHEMBL18688793 0.93 RXFP1 (0.48) LMNAALDH1A1HTTHSD17B10PKM
SCHEMBL18689399 0.92 MAPT (0.50) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL18689423 0.91 KMT2A (0.49) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL18689403 0.89 MAPT (0.51) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL18688805 0.87 MAPT (0.54) ALDH1A1HTTPKMMEN1KMT2A
SCHEMBL18688791 0.87 KMT2A (0.50) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL18689406 0.84 SLC1A3 (0.54) LMNAALDH1A1HTTKMT2ARXFP1
SCHEMBL18688798 0.82 KMT2A (0.51) LMNAALDH1A1MEN1KMT2ARXFP1
SCHEMBL18688794 0.81 MAPT (0.50) LMNAALDH1A1MEN1KMT2AKDM4E

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 LMNA 3027/4885ALDH1A1 4216/4885HTT 2254/4885
US-20180215721-A1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS TEAD1, TEAD2, TEAD3 LMNA 3027/4885ALDH1A1 4216/4885HTT 2254/4885

“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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