SCHEMBL7043763

SCHEMBL7043763

NC(=O)C1(Cc2cccnc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
NAPRT Q6XQN6 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
SARM1 Q6SZW1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
SIRT4 Q9Y6E7 1/20 0.43
CHRNA7 P36544 1/20 0.43
FES P07332 1/20 0.43
RET P07949 1/20 0.43
MARK3 P27448 1/20 0.43
TYK2 P29597 1/20 0.43
FLT4 P35916 1/20 0.43

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
SCHEMBL23647406 0.86 MEN1 (0.46) RECQLNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL31125455 0.85 NAPRT (0.54) RECQLNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL21827080 0.85 NAPRT (0.54) RECQLNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL4960187 0.80 CYP17A1 (0.41) CYP1A2CYP3A4CYP2C9KDM4ECYP17A1
SCHEMBL23660647 0.79 NAMPT (0.56)
SCHEMBL2469547 0.79 MAOA (0.50) HSD11B1SMN1; SMN2
SCHEMBL8283152 0.78 NAPRT (0.50) RECQLNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL3946074 0.78 MAPT (0.62) KDM4ESMN1; SMN2
SCHEMBL27953256 0.76 NAPRT (0.47) RECQLNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL25517289 0.74 CHRNB2 (0.48) RECQLNAPRTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
EP-1389618-A1 PYRAZOLO 1,5-A]PYRIDINES AND MEDICINES CONTAINING THE SAME Eisai Co., Ltd. (JP) 2004-02-18 EP 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 (3 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL RECQL 4830/4885NAPRT 260/4885CYP1A2 4219/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL RECQL 4830/4885NAPRT 260/4885CYP1A2 4219/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 RECQL 4829/4885NAPRT 130/4885CYP1A2 4262/4885

“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.