SCHEMBL20535652

SCHEMBL20535652

Nc1cc(OCc2cccc(Cl)c2)c(Cl)cc1NC(=O)CO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MRGPRX4 Q96LA9 5/20 0.46
PPIA P62937 1/20 0.44
THRB P10828 1/20 0.43
BRD4 O60885 1/20 0.43
PPIF P30405 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ENPP2 Q13822 1/20 0.43
SGMS2 Q8NHU3 1/20 0.42
NR4A2 P43354 1/20 0.42

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
SCHEMBL20535704 0.90 KDM4E (0.48) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL20536472 0.84 KDM4E (0.56) NR4A2
SCHEMBL20535595 0.82 HDAC8 (0.48) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL20535989 0.81 HDAC8 (0.49) SMN1; SMN2NPC1RAB9AMAPTMRGPRX4
SCHEMBL20535332 0.79 MRGPRX4 (0.57) MRGPRX4ENPP2
SCHEMBL20536404 0.78 NPC1 (0.46) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL20535985 0.76 HPGD (0.46) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL9550346 0.72 RXRA (0.56) SMN1; SMN2NPC1RAB9AHPGDMRGPRX4
SCHEMBL20536357 0.71 MRGPRX4 (0.47) NPC1RAB9AMRGPRX4ENPP2
SCHEMBL6827590 0.69 MRGPRX4 (0.64) MRGPRX4ENPP2

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 SMN1; SMN2 4200/4885NPC1 868/4885RAB9A 35/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS SMN1; SMN2 2458/4885NPC1 403/4885RAB9A 31/4885

“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.