SCHEMBL20780322

SCHEMBL20780322

C=C(C)c1nc(C(C)C)c(OC)cc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.35
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
SYK P43405 1/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL15928296 0.79 ALDH1A1 (0.36) SMPD3KMT2ASMN1; SMN2
SCHEMBL14214503 0.76 SMPD3 (0.38) SMPD3KMT2ASMN1; SMN2
SCHEMBL13394707 0.75 KMT2A (0.35) KMT2ASMN1; SMN2
SCHEMBL20780492 0.73 P2RX3 (0.37) SMPD3P2RX3P2RX2SMN1; SMN2
SCHEMBL20780497 0.69 KDM4E (0.38) SMPD3SYKKCNH2KMT2ASMN1; SMN2
SCHEMBL15928286 0.68 ALDH1A1 (0.38) SMPD3P2RX3P2RX2KMT2ASMN1; SMN2
SCHEMBL20780501 0.68 POLB (0.40) P2RX3P2RX2KMT2A
SCHEMBL20780491 0.65 POLB (0.43) SMPD3P2RX3P2RX2KMT2A
SCHEMBL26551445 0.65 POLB (0.47) SMPD3P2RX3P2RX2
SCHEMBL13413060 0.65 SMPD3 (0.36) SMPD3P2RX3P2RX2SMN1; SMN2

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
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-09-23 US disclosed
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 US disclosed
US-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2020-07-16 US disclosed
WO-2019043018-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2019-03-07 WO disclosed
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2019-03-07 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 (4 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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 SMPD3 208/4885P2RX3 2152/4885P2RX2 1112/4885
US-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 SMPD3 134/4885P2RX3 896/4885P2RX2 1416/4885
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 SMPD3 134/4885P2RX3 896/4885P2RX2 1416/4885
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 SMPD3 134/4885P2RX3 896/4885P2RX2 1416/4885

“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.