SCHEMBL20535595

SCHEMBL20535595

Nc1cc(Cl)c(OCc2ccc(Cl)cc2)cc1NC(=O)CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.48
MRGPRX4 Q96LA9 4/20 0.45
RHEB Q15382 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
BRD4 O60885 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 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
SCHEMBL20536404 0.91 NPC1 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL20535704 0.85 KDM4E (0.48) MRGPRX4SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL20536472 0.83 KDM4E (0.56) HDAC8KMT2AMEN1KDM4EHDAC6
SCHEMBL20535652 0.82 SMN1; SMN2 (0.47) MRGPRX4SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL20535985 0.79 HPGD (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL20535989 0.77 HDAC8 (0.49) HDAC8MRGPRX4SMN1; SMN2ALDH1A1KMT2A
SCHEMBL20535823 0.77 CCR5 (0.49) HDAC8MRGPRX4RHEBSMN1; SMN2L3MBTL1
SCHEMBL17543219 0.69 MRGPRX4 (0.47) HDAC8MRGPRX4RHEB
SCHEMBL20536238 0.67 CYP19A1 (0.46) HDAC8MRGPRX4RHEBALDH1A1KMT2A
SCHEMBL3571738 0.67 SYK (0.55) HDAC8MRGPRX4NPC1RAB9AMAPT

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 HDAC8 2287/4885MRGPRX4 1697/4885RHEB 1/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS HDAC8 2582/4885MRGPRX4 2982/4885RHEB 1/4885

“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.