SCHEMBL27060737

SCHEMBL27060737

CNc1ccc2c(OC)cccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.65
GRM5 P41594 2/20 0.53
KCNH2 Q12809 2/20 0.53
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
SLC2A1 P11166 1/20 0.46
RAF1 P04049 1/20 0.46
BRAF P15056 1/20 0.46

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
SCHEMBL21217198 0.89 NCF1 (0.53) NCF1GRM5KCNH2ALDH1A1LMNA
SCHEMBL12356732 0.83 NCF1 (0.61) NCF1GRM5KCNH2CYP1A2CYP3A4
SCHEMBL21195763 0.82 NCF1 (0.50) NCF1GRM5KCNH2ALDH1A1LMNA
SCHEMBL31109926 0.82 NCF1 (0.50) NCF1GRM5KCNH2ALDH1A1LMNA
SCHEMBL2253396 0.79 CYP1A2 (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6LMNA
SCHEMBL2757271 0.78 POLB (0.56) GRM5KCNH2ALDH1A1CYP1A2LMNA
SCHEMBL21195764 0.76 GRM5 (0.54) GRM5KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL21195641 0.76 NCF1 (0.63) NCF1GRM5KCNH2MCHR1
SCHEMBL2242668 0.76 GRM5 (0.54) NCF1GRM5KCNH2ALDH1A1LMNA
SCHEMBL28146671 0.76 GRM5 (0.54) GRM5KCNH2ALDH1A1CYP1A2CYP3A4

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-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 US disclosed
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 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-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 PIN1, ACE2, ACE NCF1 1003/4885GRM5 2493/4885KCNH2 4736/4885

“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.