SCHEMBL20535320

SCHEMBL20535320

Nc1cccc(Oc2ccccc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PIN1 Q13526 1/20 0.43
TLR8 Q9NR97 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
CXCL8 P10145 1/20 0.39
PDE7A Q13946 3/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL11497261 0.81 HPGD (0.58) HPGDMEN1KMT2AHSP90AA1MAPK1
SCHEMBL10822131 0.81 KMT2A (0.50) HPGDMEN1KMT2AMAPK1TLR8
SCHEMBL203912 0.79 TSHR (0.44) HPGDMEN1KMT2AHSP90AA1SMN1; SMN2
SCHEMBL11092742 0.79 HPGD (0.56) HPGDMEN1KMT2AHSP90AA1MAPK1
SCHEMBL11095518 0.78 HPGD (0.55) HPGDMEN1KMT2AHSP90AA1MAPK1
SCHEMBL11090838 0.78 HPGD (0.59) HPGDMEN1KMT2AHSP90AA1MAPK1
SCHEMBL9223355 0.78 ALDH1A1 (0.43) HPGDMEN1KMT2AL3MBTL1PIN1
SCHEMBL104227 0.76 TDP1 (0.53) HPGDMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL11819011 0.76 HPGD (0.65) HPGDMEN1KMT2AHSP90AA1MAPK1
Aniline SCHEMBL4155229 0.76 TSHR (0.42) HPGDSMN1; SMN2PDE7ATDP1TSHR

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 3 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-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 1852/4885MEN1 254/4885KMT2A 2481/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS HPGD 2380/4885MEN1 169/4885KMT2A 3149/4885

“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.