SCHEMBL18688796

SCHEMBL18688796

Cc1cc(-c2ccc(NC(=O)CSc3nnc[nH]3)cc2)cc(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ HPGD P15428 3/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ POLB P06746 4/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ BAP1 Q92560 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTT P42858 1/20 0.47

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
SCHEMBL18689411 0.90 THRB (0.49) ALDH1A1HPGDESR2SMN1; SMN2MAPT
SCHEMBL18689403 0.86 MAPT (0.51) ALDH1A1SMN1; SMN2MAPTPOLBTDP1
SCHEMBL18688797 0.85 MEN1 (0.46) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL18688805 0.84 MAPT (0.54) ALDH1A1HPGDSMN1; SMN2MAPTPOLB
SCHEMBL18688798 0.84 KMT2A (0.51) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL18688793 0.83 RXFP1 (0.48) ALDH1A1HPGDSMN1; SMN2MAPTHSD17B10
SCHEMBL18689398 0.83 POLB (0.50) ALDH1A1ESR2SMN1; SMN2MAPTPOLB
SCHEMBL18689399 0.83 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTPOLBTDP1
SCHEMBL18689397 0.82 TP53 (0.44) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL18689404 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTPOLBTDP1

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 ALDH1A1 4216/4885HPGD 3292/4885ESR2 894/4885
US-20180215721-A1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS TEAD1, TEAD2, TEAD3 ALDH1A1 4216/4885HPGD 3292/4885ESR2 894/4885

“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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