SCHEMBL19982217

SCHEMBL19982217

Cc1cnc([C@@H](N)Cc2ccc(OCc3ccccc3)cc2)o1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.51
LAP3 P28838 1/20 0.45
MAOB P27338 4/20 0.44
MAOA P21397 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
IDH1 O75874 1/20 0.41
BCHE P06276 1/20 0.41
PPARD Q03181 1/20 0.41

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
Hydrochloric Acid SCHEMBL25326756 0.99 LTA4H (0.50) LTA4HLAP3MAOBMAOAGAA
Hydrochloric Acid SCHEMBL23296245 0.99 LTA4H (0.50) LTA4HLAP3MAOBMAOAGAA
SCHEMBL16252386 0.88 ALDH1A1 (0.49) MAOAGAASMN1; SMN2L3MBTL1SIGMAR1
SCHEMBL16254310 0.88 ALDH1A1 (0.49) MAOAGAASMN1; SMN2L3MBTL1SIGMAR1
SCHEMBL25922304 0.86 SIGMAR1 (0.46) LTA4HMAOBMAOAL3MBTL1SIGMAR1
SCHEMBL23296264 0.80 PPARG (0.47) LTA4HMAOBMAPTRAB9ASMN1; SMN2
SCHEMBL23296263 0.80 PPARG (0.47) LTA4HMAOBMAPTRAB9ASMN1; SMN2
SCHEMBL16816318 0.80 TAAR1 (0.46) GAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL13919509 0.80 TAAR1 (0.46) GAAMAPTSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL19974577 0.79 MAOB (0.47) MAOBMAOAGAAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-07-27 US disclosed
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-07-27 US disclosed
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-05-06 US disclosed
US-10906874-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-02-02 US disclosed
WO-2018053446-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-03-22 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 (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-10906874-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, IWS1, YES1 LTA4H 4759/4885LAP3 3665/4885MAOB 4599/4885
US-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC LTA4H 4843/4885LAP3 3861/4885MAOB 4497/4885
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC LTA4H 4828/4885LAP3 4001/4885MAOB 4496/4885
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 YAP1, YES1, MYC LTA4H 4843/4885LAP3 3861/4885MAOB 4497/4885

“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.