SCHEMBL26530035

SCHEMBL26530035

Cc1cc(C(=O)N2CCC(Cc3noc(C4CCNC4)n3)CC2)nn1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 2/20 0.38
▸ NR2E1 Q9Y466 1/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ SLC9A1 P19634 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ KDM1A O60341 1/20 0.34

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
SCHEMBL26529830 0.90 IRAK4 (0.44) NR2E1IRAK4HTR2APDE2ASLC9A1
SCHEMBL26530043 0.86 PDE2A (0.41) PLATNR2E1IRAK4HTR2APDE2A
SCHEMBL26530022 0.82 IRAK4 (0.44) NR2E1IRAK4HTR2APDE2ASLC9A1
SCHEMBL26530054 0.81 NR2E1 (0.43) NR2E1IRAK4HTR2APDE2ASLC9A1
SCHEMBL26530029 0.79 NR2E1 (0.43) NR2E1IRAK4HTR2APDE2ASLC9A1
SCHEMBL26535536 0.78 HDAC4 (0.47) NR2E1IRAK4HTR2APDE2ASLC9A1
SCHEMBL26530033 0.77 NR2E1 (0.49) NR2E1ALDH1A1KDM4ESMN1; SMN2CHRM2
SCHEMBL26529913 0.75 LDHA (0.50) NR2E1HTR2APDE2ASLC9A1ALDH1A1
SCHEMBL26530068 0.74 NR2E1 (0.38) PLATNR2E1IRAK4HTR2APDE2A
SCHEMBL23260551 0.72 NR2E1 (0.43) NR2E1HTR2APDE2ASLC9A1ALDH1A1

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 2 patents. 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
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 PLAT 4477/4885NR2E1 2168/4885IRAK4 626/4885

“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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