SCHEMBL20535985

SCHEMBL20535985

Nc1cc(Cl)c(OCCc2ccccc2)cc1NC(=O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
P2RX4 Q99571 1/20 0.45
SCN9A Q15858 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
S1PR1 P21453 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
SCHEMBL20535704 0.83 KDM4E (0.48) HPGDP2RX4NPC1RAB9ASMN1; SMN2
SCHEMBL20536404 0.79 NPC1 (0.46) HPGDNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20536472 0.79 KDM4E (0.56) KDM4EMEN1KMT2A
SCHEMBL20535595 0.79 HDAC8 (0.48) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20535690 0.78 NPC1 (0.49) HPGDSCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL20535652 0.76 SMN1; SMN2 (0.47) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20535989 0.75 HDAC8 (0.49) P2RX4NPC1RAB9ASMN1; SMN2POLB
SCHEMBL20536393 0.71 PIN1 (0.51) HPGDNPC1RAB9ASMN1; SMN2POLB
SCHEMBL13812640 0.69 MEN1 (0.52) P2RX4SCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL11360859 0.69 NPC1 (0.56) HPGDSCN9ANPC1RAB9ASMN1; SMN2

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 HPGD 1852/4885P2RX4 4136/4885SCN9A 4758/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS HPGD 2380/4885P2RX4 4813/4885SCN9A 4382/4885

“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.