SCHEMBL21053116

SCHEMBL21053116

COC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(-c2nnn(Cc3ccccc3F)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ ATM Q13315 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ LMNA P02545 5/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AURKA O14965 2/20 0.39
▸ AURKB Q96GD4 1/20 0.39

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
SCHEMBL25791152 0.94 ATM (0.45) MAPTATMALDH1A1NPC1RAB9A
SCHEMBL21053119 0.92 ATM (0.47) MAPTATMALDH1A1NPC1RAB9A
SCHEMBL30061310 0.91 ATM (0.55) MAPTATMALDH1A1NPC1RAB9A
SCHEMBL21054113 0.91 ATM (0.55) MAPTATMALDH1A1NPC1RAB9A
SCHEMBL25791128 0.88 ATM (0.46) MAPTATMALDH1A1NPC1RAB9A
SCHEMBL21091031 0.85 MPO (0.43) MAPTATMALDH1A1NPC1RAB9A
SCHEMBL20779823 0.83 MAPT (0.45) MAPTATMALDH1A1NPC1RAB9A
SCHEMBL21054301 0.82 AKR1C3 (0.47) MAPTLMNAL3MBTL1AKR1C3AKR1C2
SCHEMBL29438861 0.82 AKR1C3 (0.47) MAPTLMNAL3MBTL1AKR1C3AKR1C2
SCHEMBL21053210 0.82 ATM (0.57) MAPTATMALDH1A1NPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 — — US disclosed
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — US disclosed
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — US disclosed
EP-3720430-A1 BENZOCARBONYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-10-14 — — EP disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — WO disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — 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-11524943-B1 Benzocarbonyl compounds YAP1, TEAD2, TEAD3 MAPT 1776/4885ATM 254/4885ALDH1A1 2574/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 MAPT 516/4885ATM 3841/4885ALDH1A1 3323/4885

“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.

Send feedback