SCHEMBL25791152

SCHEMBL25791152

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RECQL P46063 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ THRB P10828 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ TP53 P04637 1/20 0.35

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
SCHEMBL21053116 0.94 MAPT (0.47) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL25791128 0.89 ATM (0.46) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21053119 0.88 ATM (0.47) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21054113 0.85 ATM (0.55) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30061310 0.85 ATM (0.55) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21091031 0.79 MPO (0.43) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30061300 0.78 ATM (0.57) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21053210 0.78 ATM (0.57) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20779823 0.77 MAPT (0.45) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL25790947 0.77 AKR1C3 (0.39) NPC1RAB9AL3MBTL1LMNAKMT2A

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 ATM 3841/4885MAPT 516/4885SMN1; SMN2 3035/4885

“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