SCHEMBL19006356

SCHEMBL19006356

CCCc1nccc(C)c1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.52
NOS3 P29474 3/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
TLR8 Q9NR97 1/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDO2 P48775 1/20 0.32
F2RL1 P55085 3/20 0.31
DHFR P00374 1/20 0.31
SREBF2 Q12772 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
SCHEMBL11967119 0.83 NOS2 (0.48) NOS2NOS3PDE3BPDE3ACCR1
SCHEMBL18988614 0.82 NOS2 (0.38) NOS2NOS3CCR1CCR5CCR8
SCHEMBL9019314 0.79 NOS2 (0.50) NOS2NOS3PDE3BPDE3ACCR1
SCHEMBL15154665 0.78 NOS2 (0.39) NOS2NOS3CCR1CCR5CCR8
SCHEMBL12468516 0.78 ALDH1A1 (0.41) NOS2NOS3PDE3BPDE3ACCR1
SCHEMBL5651427 0.78 NOS2 (0.43) NOS2NOS3CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL6950823 0.76 NOS2 (0.42) NOS2NOS3CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL16880907 0.76 NOS2 (0.42) NOS2NOS3CCR1CCR5CCR8
SCHEMBL21567686 0.76 NOS2 (0.56) NOS2NOS3PDE3BPDE3ACCR1
SCHEMBL18999261 0.74 PDE3B (0.41) NOS2NOS3PDE3BPDE3ACCR1

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-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 US disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 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-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A NOS2 233/4885NOS3 247/4885PDE3B 5/4885
US-10030027-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A NOS2 233/4885NOS3 247/4885PDE3B 5/4885

“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.