SCHEMBL25005441

SCHEMBL25005441

CC[C@H]1C[C@@H]1c1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.49
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL15780114 1.00 SLC6A4 (0.49) SLC6A4ALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL25005433 0.88 ALDH1A1 (0.46) SLC6A4ALDH1A1SLC6A2SLC6A3HTR2C
SCHEMBL15777623 0.79 KDM1A (0.50) SLC6A4ALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL22335036 0.76 ALDH1A1 (0.49) SLC6A4ALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL31611743 0.75 ALDH1A1 (0.60) SLC6A4ALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL10082424 0.75 PDE10A (0.48)
SCHEMBL3596278 0.74 ALOX15 (0.43) ALDH1A1POLBSMN1; SMN2MAPK1RAB9A
SCHEMBL31596870 0.74 POLB (0.49) SLC6A4ALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL21744243 0.73 CYP2A6 (0.49) SLC6A4ALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL25004989 0.73 HTR2C (0.40) SLC6A4SLC6A2SLC6A3HTR2CHTR2B

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E SLC6A4 1120/4885ALDH1A1 347/4885POLB 771/4885

“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.