SCHEMBL20799451

SCHEMBL20799451

CCCCNC(=O)Cc1ncc2ccccc2c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
PRNP P04156 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HCRTR1 O43613 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL17954336 0.97 HPGD (0.44) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL18165314 0.80 HPGD (0.60) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17955274 0.80 MEN1 (0.37) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL17955249 0.79 TERT (0.37) HPGDMEN1KMT2AALDH1A1TP53
SCHEMBL17955291 0.79 KMT2A (0.36) HPGDMEN1KMT2AMAPTKDM4E
SCHEMBL16624730 0.78 SMN1; SMN2 (0.48) HPGDTDP1MAPTKDM4EALDH1A1
SCHEMBL17955290 0.78 TERT (0.38) MEN1KMT2ATP53
SCHEMBL16627109 0.78 CYP1A2 (0.47) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21610293 0.77 TDP1 (0.43) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17954342 0.76 HPGD (0.56) HPGDCYP1A2CYP3A4CYP2D6CYP2C19

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-11008570-B2 3′ end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2021-05-18 US disclosed
US-10227588-B2 3′end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2019-03-12 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 (2 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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 HPGD 4793/4885CYP1A2 4882/4885CYP3A4 4884/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 HPGD 4793/4885CYP1A2 4882/4885CYP3A4 4884/4885

“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.