SCHEMBL23623633

SCHEMBL23623633

COc1ccccc1-c1cc(CNC(=O)c2ccccc2N2CCCC2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 1/20 0.48
DRD2 P14416 6/20 0.47
DRD4 P21917 4/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
DRD3 P35462 4/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMYD2 Q9NRG4 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL29930733 0.99 CHRNA3 (0.49) CHRNA3DRD2DRD4ALDH1A1LMNA
SCHEMBL23611721 0.99 CHRNA3 (0.49) CHRNA3DRD2DRD4ALDH1A1LMNA
SCHEMBL24177676 0.91 DRD2 (0.44) CHRNA3DRD2DRD4ALDH1A1LMNA
SCHEMBL23623628 0.91 HDAC3 (0.47) CHRNA3DRD2DRD4ALDH1A1LMNA
SCHEMBL23623323 0.90 HDAC3 (0.47) CHRNA3DRD2DRD4ALDH1A1LMNA
SCHEMBL23623629 0.87 DRD2 (0.41) CHRNA3DRD2DRD4ALDH1A1LMNA
SCHEMBL23623345 0.83 HDAC3 (0.49) CHRNA3DRD2DRD4ALDH1A1LMNA
SCHEMBL23623807 0.83 CCNT1 (0.42) DRD2DRD4ALDH1A1LMNAMAPT
SCHEMBL23623632 0.81 DRD2 (0.46) DRD2DRD4LMNAMAPTDRD3
SCHEMBL23623306 0.79 KMT2A (0.46) ALDH1A1LMNAMAPTNPC1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091590-A1 COMPOUNDS FOR USE IN TREATING GASTRIC CANCER BERG LLC (US) 2023-05-25 WO disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 US disclosed
WO-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 WO 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 (3 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-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 CHRNA3 4281/4885DRD2 4728/4885DRD4 4828/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 CHRNA3 4281/4885DRD2 4728/4885DRD4 4828/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 CHRNA3 4281/4885DRD2 4728/4885DRD4 4828/4885

“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.