SCHEMBL26535536

SCHEMBL26535536

Cc1cc(C(=O)N2CCC(Cc3noc(C(F)(F)F)n3)CC2)nn1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 7/20 0.47
▸ SLC9A1 P19634 1/20 0.45
▸ HTR2A P28223 1/20 0.42
▸ IRAK4 Q9NWZ3 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ NR2E1 Q9Y466 1/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38

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
SCHEMBL26530022 0.86 IRAK4 (0.44) SLC9A1HTR2AIRAK4LMNAENPP2
SCHEMBL26530054 0.85 NR2E1 (0.43) SLC9A1HTR2AIRAK4LMNARAB9A
SCHEMBL26529830 0.84 IRAK4 (0.44) SLC9A1HTR2AIRAK4LMNARAB9A
SCHEMBL26530029 0.83 NR2E1 (0.43) SLC9A1HTR2AIRAK4LMNANR2E1
SCHEMBL26530033 0.81 NR2E1 (0.49) RAB9ANR2E1KDM4EALDH1A1SMN1; SMN2
SCHEMBL26530043 0.80 PDE2A (0.41) SLC9A1HTR2AIRAK4LMNARAB9A
SCHEMBL26530035 0.78 PLAT (0.38) SLC9A1HTR2AIRAK4LMNANR2E1
SCHEMBL26529913 0.77 LDHA (0.50) SLC9A1HTR2ALMNARAB9AENPP2
SCHEMBL23260551 0.76 NR2E1 (0.43) SLC9A1HTR2ALMNAENPP2NR2E1
SCHEMBL26529918 0.76 NR2E1 (0.53) SLC9A1HTR2ALMNARAB9ANR2E1

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-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 — — 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-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 HDAC4 1981/4885SLC9A1 4843/4885HTR2A 1643/4885

“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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