SCHEMBL25668462

SCHEMBL25668462

C[C@H](NC(=O)C1=C(N(I)[C@@H](C)c2ccccc2)CNCC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.41
▸ HPGD P15428 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20053566 0.78 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL1101522 0.64 ALDH1A1 (0.77) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL5968858 0.64 ALDH1A1 (0.77) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL751213 0.64 ALDH1A1 (0.77) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL3861132 0.64 MAPT (0.41) ALDH1A1HPGDLMNA
SCHEMBL22240437 0.63 ALOX5 (0.49) ALDH1A1KDM4ELMNANPC1GAA
SCHEMBL20440467 0.62 HSD17B10 (0.59) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL18470834 0.62 HSD17B10 (0.59) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL25336459 0.62 MMP9 (0.66) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL18415463 0.62 MMP9 (0.66) ALDH1A1HPGDKDM4ELMNAHSD17B10

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-20230174511-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS VIRACTA THERAPEUTICS, INC. (US) 2023-06-08 — — 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-20230174511-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS ABL1, BTK, ABL2 ALDH1A1 3781/4885HPGD 3961/4885KDM4E 1148/4885

“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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