SCHEMBL14224893

SCHEMBL14224893

N#Cc1cccnc1NC1CC[C@@H](CO)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.40
ALDH1A1 P00352 6/20 0.40
CYP2D6 P10635 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CASP3 P42574 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL12887546 1.00 HPGD (0.40) HPGDALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL4535545 0.73 HPGD (0.48) HPGDALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL4875548 0.72 ADK (0.43) HPGDCYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL1034425 0.70 CYP1A2 (0.46) HPGDALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL11169214 0.70 KDM4E (0.50) HPGDALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL6509693 0.68 IRAK4 (0.48) HPGDALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL6697261 0.66 NPC1 (0.58) HPGDALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL14224892 0.66 ADK (0.36) ALDH1A1CYP2A6
SCHEMBL1032977 0.66 BRD4 (0.44) HPGDALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL1032978 0.66 BRD4 (0.44) HPGDALDH1A1CYP2D6CYP3A4CYP1A2

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-20080090774-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations PTC THERAPEUTICS, INC. 2008-04-17 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-20080090774-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations NSUN2, RNMT, NSUN3 HPGD 3344/4885ALDH1A1 2085/4885CYP2D6 4489/4885

“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.