SCHEMBL26529913

SCHEMBL26529913

Cc1cc(C(=O)N2CCC(Cc3nc(C4CC4)no3)CC2)nn1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 2/20 0.50
▸ NR2E1 Q9Y466 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ PDE2A O00408 1/20 0.40
▸ SLC9A1 P19634 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ DDR1 Q08345 1/20 0.36
▸ MGLL Q99685 3/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL23260551 0.85 NR2E1 (0.43) LDHANR2E1HTR2APDE2ASLC9A1
SCHEMBL26529830 0.82 IRAK4 (0.44) NR2E1HTR2APDE2ASLC9A1ALDH1A1
SCHEMBL26530022 0.81 IRAK4 (0.44) NR2E1HTR2APDE2ASLC9A1ALDH1A1
SCHEMBL26530054 0.79 NR2E1 (0.43) NR2E1HTR2APDE2ASLC9A1ALDH1A1
SCHEMBL26529996 0.79 HTT (0.47) ALDH1A1KDM4ENAMPTKMT2A
SCHEMBL26530029 0.78 NR2E1 (0.43) NR2E1HTR2APDE2ASLC9A1ALDH1A1
SCHEMBL26530043 0.77 PDE2A (0.41) NR2E1HTR2APDE2ASLC9A1ALDH1A1
SCHEMBL26535536 0.77 HDAC4 (0.47) NR2E1HTR2APDE2ASLC9A1ALDH1A1
SCHEMBL26530033 0.76 NR2E1 (0.49) NR2E1ALDH1A1KDM4ESMN1; SMN2MGLL
SCHEMBL26530035 0.75 PLAT (0.38) 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 LDHA 3964/4885NR2E1 2168/4885HTR2A 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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