SCHEMBL22775841

SCHEMBL22775841

CC(C)c1nc2cc(N)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.53
NPC1 O15118 14/20 0.53
GFER P55789 3/20 0.53
RXFP1 Q9HBX9 2/20 0.53
MAPT P10636 10/20 0.53
KDM4E B2RXH2 9/20 0.53
TP53 P04637 8/20 0.53
HSD17B10 Q99714 7/20 0.53
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 9/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51

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
SCHEMBL26319866 0.86 MAPT (0.53) RAB9ANPC1MAPTKDM4ETP53
SCHEMBL23403728 0.82 RAB9A (0.53) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL2242717 0.81 RAB9A (0.49) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL10172908 0.80 MAPT (0.58) RAB9ANPC1MAPTKDM4ETP53
SCHEMBL10223594 0.80 RAB9A (0.54) RAB9ANPC1MAPTKDM4ETP53
SCHEMBL28036595 0.79 RAB9A (0.47) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL2609446 0.79 LMNA (0.56) RAB9ANPC1MAPTKDM4ETP53
SCHEMBL20966351 0.79 CHRNB2 (0.43) RAB9ANPC1MAPTKDM4ETP53
Bromide SCHEMBL9224448 0.79 RAB9A (0.53) RAB9ANPC1MAPTKDM4ETP53
SCHEMBL4790659 0.79 RAB9A (0.54) RAB9ANPC1MAPTKDM4ETP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269721-B Compounds for the treatment of respiratory diseases TMEM16A有限公司 2024-12-20 CN disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
EP-3983389-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2022-04-20 EP disclosed
CN-114269721-A Compounds for the treatment of respiratory diseases TMEM16A有限公司 2022-04-01 CN disclosed
WO-2020249957-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE Enterprise Therapeutics Limited (GB) 2020-12-17 WO 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR RAB9A 1430/4885NPC1 1106/4885GFER 4593/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR RAB9A 2719/4885NPC1 3021/4885GFER 2513/4885

“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.