SCHEMBL30061310

SCHEMBL30061310

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.55
▸ MAPT P10636 2/20 0.47
▸ AKR1C3 P42330 3/20 0.44
▸ AKR1C2 P52895 3/20 0.44
▸ MPO P05164 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ LMNA P02545 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DCUN1D1 Q96GG9 1/20 0.42
▸ POLB P06746 1/20 0.41

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
SCHEMBL21054113 1.00 ATM (0.55) ATMMAPTAKR1C3AKR1C2MPO
SCHEMBL21053210 0.91 ATM (0.57) ATMMAPTAKR1C3AKR1C2KDM4E
SCHEMBL30061300 0.91 ATM (0.57) ATMMAPTAKR1C3AKR1C2KDM4E
SCHEMBL21053116 0.91 MAPT (0.47) ATMMAPTAKR1C3AKR1C2KDM4E
SCHEMBL21091031 0.87 MPO (0.43) ATMMAPTMPOKDM4EALDH1A1
SCHEMBL25791152 0.85 ATM (0.45) ATMMAPTKDM4EALDH1A1NPC1
SCHEMBL20779823 0.83 MAPT (0.45) ATMMAPTKDM4EALDH1A1NPC1
SCHEMBL21053119 0.82 ATM (0.47) ATMMAPTKDM4EALDH1A1NPC1
SCHEMBL21054916 0.81 AKR1C3 (0.53) AKR1C3AKR1C2MPOALDH1A1LMNA
SCHEMBL30061296 0.81 AKR1C3 (0.53) AKR1C3AKR1C2MPOALDH1A1LMNA

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-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — 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-11524943-B1 Benzocarbonyl compounds YAP1, TEAD2, TEAD3 ATM 254/4885MAPT 1776/4885AKR1C3 4086/4885

“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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