SCHEMBL20442007

SCHEMBL20442007

CCC(C)(C)c1ccc2c(O)nc(C)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ESR1 P03372 8/20 0.35
ESR2 Q92731 7/20 0.35
AR P10275 3/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
MAPT P10636 2/20 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
SCHEMBL19256974 0.88 CNR1 (0.41) ESR1ESR2ARCNR1CNR2
SCHEMBL9880939 0.83 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9ALMNAESR1
SCHEMBL19256867 0.79 MAPK1 (0.37) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL12727818 0.77 NPC1 (0.36) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9883152 0.73 TRPA1 (0.42) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL13829913 0.72 CYP1A2 (0.42) LMNAALDH1A1MAPTL3MBTL1
SCHEMBL19256970 0.72 CNR2 (0.38) ESR1ESR2ARCNR1CNR2
SCHEMBL19010378 0.71 NPC1 (0.50) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL21083218 0.71 CYP1A2 (0.47) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL10224681 0.71 PLAU (0.47) MAPK1SMN1; SMN2NPC1RAB9ALMNA

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-10174017-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2019-01-08 US disclosed
US-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2018-08-02 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-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 MAPK1 221/4885SMN1; SMN2 2657/4885NPC1 522/4885
US-10174017-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 MAPK1 221/4885SMN1; SMN2 2657/4885NPC1 522/4885

“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.