SCHEMBL20535590

SCHEMBL20535590

O=Cc1ccc(Cl)cc1Oc1cccc2cnccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.42
▸ KCNA3 P22001 1/20 0.40
▸ TRPV1 Q8NER1 3/20 0.38
▸ BRAF P15056 1/20 0.38
▸ HTT P42858 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL20535967 0.75 SCN9A (0.40) SCN9ATRPV1BRAFHTTALDH1A1
SCHEMBL20535968 0.75 SCN9A (0.40) SCN9ATRPV1BRAFHTTALDH1A1
SCHEMBL23709745 0.72 TDP1 (0.52) HTTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL11841991 0.71 ALDH1A1 (0.51) TRPV1HTTALDH1A1LMNASMN1; SMN2
SCHEMBL29935732 0.71 CYP2D6 (0.53) KCNA3TRPV1HTTALDH1A1LMNA
SCHEMBL844312 0.71 CYP2D6 (0.53) KCNA3TRPV1HTTALDH1A1LMNA
SCHEMBL3873190 0.70 KCNA3 (0.45) SCN9AKCNA3TRPV1BRAFHTT
SCHEMBL20535365 0.70 TDP1 (0.57) ALDH1A1LMNAHPGDTP53CYP1A2
SCHEMBL4515945 0.70 NPSR1 (0.46) HTTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4509584 0.70 TDP1 (0.44) HTTALDH1A1LMNASMN1; SMN2HPGD

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 SCN9A 4758/4885KCNA3 4769/4885TRPV1 4670/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS SCN9A 4382/4885KCNA3 4618/4885TRPV1 4849/4885

“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