SCHEMBL18688797

SCHEMBL18688797

O=C(CSc1nnc[nH]1)Nc1ccc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ STAT3 P40763 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL18688793 0.96 RXFP1 (0.48) MEN1KMT2ACYP2C9RXFP1ALDH1A1
SCHEMBL18688795 0.94 LMNA (0.45) MEN1KMT2ACYP2C9RXFP1ALDH1A1
SCHEMBL18689403 0.89 MAPT (0.51) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL18688791 0.88 KMT2A (0.50) MEN1KMT2AALDH1A1PKM
SCHEMBL18689399 0.86 MAPT (0.50) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL18689411 0.86 THRB (0.49) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL18688805 0.85 MAPT (0.54) MEN1KMT2AALDH1A1HTTTSHR
SCHEMBL18688796 0.85 ALDH1A1 (0.50) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL18689423 0.85 KMT2A (0.49) MEN1KMT2AALDH1A1LMNAPKM
SCHEMBL18689397 0.83 TP53 (0.44) MEN1KMT2AALDH1A1LMNATSHR

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 MEN1 3771/4885KMT2A 641/4885CYP2C9 4707/4885
US-20180215721-A1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS TEAD1, TEAD2, TEAD3 MEN1 3771/4885KMT2A 641/4885CYP2C9 4707/4885

“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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