SCHEMBL25098947

SCHEMBL25098947

CCc1nc2ccc(C(=O)O)cc2[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ HSP90AA1 P07900 1/20 0.60
▸ ESR2 Q92731 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.56
▸ APEX1 P27695 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TOP2A P11388 1/20 0.49
▸ NR4A2 P43354 1/20 0.49
▸ CHEK2 O96017 3/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.47

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
SCHEMBL25099252 0.89 MEN1 (0.61) RAB9AMEN1NPC1KMT2AHSP90AA1
SCHEMBL12336929 0.87 POLB (0.64) RAB9AMEN1NPC1KMT2AKDM4E
SCHEMBL22912783 0.85 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL22963780 0.82 TDP1 (0.52) RAB9AMEN1NPC1KMT2AHSP90AA1
SCHEMBL27077574 0.81 TDP1 (0.69) RAB9AMEN1NPC1KMT2AHSP90AA1
SCHEMBL5396738 0.81 NPSR1 (0.73) RAB9AMEN1NPC1KMT2AHSP90AA1
SCHEMBL22912787 0.78 KDM4E (0.59) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL29396632 0.78 KDM4E (0.59) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL25318611 0.78 KDM4E (0.62) RAB9AKDM4EALDH1A1EGLN1MAPT
SCHEMBL30493540 0.78 KDM4E (0.62) RAB9AKDM4EALDH1A1EGLN1MAPT

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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 — — 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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 RAB9A 3544/4885MEN1 4328/4885NPC1 80/4885

“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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