SCHEMBL18689418

SCHEMBL18689418

O=C(CSc1nnc[nH]1)N(c1cccc(C(F)(F)F)c1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 2/20 0.39
▸ MAPT P10636 4/20 0.36
▸ TP53 P04637 3/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ HCRTR2 O43614 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PTGIR P43119 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ TNNI3K Q59H18 1/20 0.33

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
SCHEMBL23969852 0.79 POLQ (0.33) POLQMAPTTP53ALDH1A1POLB
SCHEMBL7978950 0.73 POLQ (0.47) POLQMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL19425667 0.70 LMNA (0.61) MAPTTP53ALDH1A1LMNAPOLB
SCHEMBL7348767 0.70 HDAC1 (0.50) POLQMAPTALDH1A1LMNAPOLB
SCHEMBL18689406 0.67 SLC1A3 (0.54) MAPTTP53ALDH1A1LMNAPOLB
SCHEMBL4163668 0.64 POLQ (0.41) POLQMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7978872 0.63 HTT (0.40) TP53RAB9AALDH1A1NPC1LMNA
SCHEMBL18688794 0.62 MAPT (0.50) MAPTTP53ALDH1A1SMN1; SMN2LMNA
SCHEMBL7982394 0.62 PTGIR (0.46) MAPTTP53RAB9AALDH1A1SMN1; SMN2
SCHEMBL3242088 0.61 POLQ (0.44) POLQALDH1A1TLR7KDM4E

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 5 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
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 POLQ 1641/4885MAPT 1926/4885TP53 536/4885
US-20180215721-A1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS TEAD1, TEAD2, TEAD3 POLQ 1641/4885MAPT 1926/4885TP53 536/4885

“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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