SCHEMBL20535203

SCHEMBL20535203

O=Cc1ccc(Cl)cc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 11/20 0.51
▸ SLC6A4 P31645 11/20 0.51
▸ KCNH2 Q12809 10/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ERN1 O75460 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KMO O15229 1/20 0.39
▸ P2RY1 P47900 1/20 0.39

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
SCHEMBL5838562 0.84 HTR2A (0.53) HTR2ASLC6A4KCNH2ALDH1A1HSP90AA1
SCHEMBL20535365 0.83 TDP1 (0.57) TDP1ALDH1A1HSP90AA1TP53ERN1
SCHEMBL5321373 0.82 LMNA (0.61) HTR2ASLC6A4KCNH2TDP1ALDH1A1
SCHEMBL23709944 0.82 SLC6A4 (0.50) HTR2ASLC6A4KCNH2TDP1ERN1
SCHEMBL5497557 0.82 VCAM1 (0.49) TDP1ALDH1A1
SCHEMBL5837353 0.81 HTR2A (0.57) HTR2ASLC6A4KCNH2ALDH1A1HSP90AA1
SCHEMBL5991889 0.81 LMNA (0.46) HTR2ASLC6A4KCNH2TDP1ALDH1A1
SCHEMBL5989078 0.81 HTR2A (0.52) HTR2ASLC6A4KCNH2TDP1ALDH1A1
SCHEMBL20536242 0.80 LMNA (0.62) TDP1ALDH1A1ERN1P2RY1
SCHEMBL19563670 0.79 ALDH1A1 (0.55) SLC6A4TDP1ALDH1A1ERN1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 — — US disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 — — US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 — — US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 — — US disclosed
WO-2018191146-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-10-18 — — 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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS HTR2A 4448/4885SLC6A4 4819/4885KCNH2 4734/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS HTR2A 4490/4885SLC6A4 4806/4885KCNH2 4479/4885

“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.

Send feedback