SCHEMBL20216019

SCHEMBL20216019

C=Nc1ccccc1/C=C(\C)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.41
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 3/20 0.33
AKR1C3 P42330 1/20 0.33
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTRC Q99895 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL14427457 0.79 CA12 (0.31)
SCHEMBL18570253 0.76 CA12 (0.35) RECQLMAPTPOLBKDM4EALDH1A1
SCHEMBL14024554 0.73 L3MBTL1 (0.35) ALDH1A1RAB9AHPGD
SCHEMBL21276638 0.73 CA12 (0.33) RECQLMAPTPOLBKDM4EALDH1A1
SCHEMBL18583904 0.73 L3MBTL1 (0.35) ALDH1A1RAB9AHPGD
SCHEMBL2910666 0.72 RECQL (0.67) RECQLKDM4EALDH1A1AKR1C3MTNR1A
SCHEMBL2910667 0.72 RECQL (0.67) RECQLKDM4EALDH1A1AKR1C3MTNR1A
SCHEMBL11310912 0.72 RECQL (0.67) RECQLKDM4EALDH1A1AKR1C3MTNR1A
SCHEMBL19188346 0.72 P2RX7 (0.35) NPC1RAB9A
SCHEMBL19718545 0.71 CA12 (0.32) RAB9A

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-10227588-B2 3′end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2019-03-12 US disclosed
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 RECQL 1677/4885CYP1A2 4882/4885CYP2D6 4869/4885

“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.