SCHEMBL30061300

SCHEMBL30061300

O=C(O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2nnn(Cc3ccccc3F)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.57
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL21053210 1.00 ATM (0.57) ATMMAPTALDH1A1KDM4ENPC1
SCHEMBL30061310 0.91 ATM (0.55) ATMMAPTALDH1A1KDM4ENPC1
SCHEMBL21054113 0.91 ATM (0.55) ATMMAPTALDH1A1KDM4ENPC1
SCHEMBL21053119 0.91 ATM (0.47) ATMMAPTALDH1A1KDM4ENPC1
SCHEMBL21091053 0.86 RAB9A (0.44) ATMMAPTALDH1A1KDM4ENPC1
SCHEMBL29074802 0.86 NPC1 (0.54) ATMMAPTALDH1A1KDM4ENPC1
SCHEMBL29074757 0.85 ATM (0.43) ATMMAPTALDH1A1KDM4ENPC1
SCHEMBL25791128 0.84 ATM (0.46) ATMMAPTALDH1A1KDM4ENPC1
SCHEMBL20779713 0.83 TEAD1 (0.52) ATMMAPTALDH1A1KDM4ENPC1
SCHEMBL21053116 0.82 MAPT (0.47) ATMMAPTALDH1A1KDM4ENPC1

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 1776/4885ALDH1A1 2574/4885

“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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