SCHEMBL20535866

SCHEMBL20535866

Nc1c([N+](=O)[O-])cc(Br)c(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
CYP3A4 P08684 4/20 0.53
CTSB P07858 1/20 0.51
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 7/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
THRB P10828 1/20 0.41
GPR35 Q9HC97 1/20 0.41
VCAM1 P19320 2/20 0.41
ALOX15 P16050 2/20 0.40
PDE7A Q13946 2/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40

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
SCHEMBL11558066 0.83 GPR35 (0.59) ALDH1A1CYP3A4CTSBTSHRMAPK1
SCHEMBL28582931 0.83 GPR35 (0.52) ALDH1A1CYP3A4CTSBTSHRMAPK1
SCHEMBL1192005 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL31047167 0.78 TDP1 (0.51) ALDH1A1CYP3A4CTSBTSHRMAPK1
SCHEMBL10528040 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4CTSBTSHRMAPK1
SCHEMBL27002321 0.78 TDP1 (0.51) ALDH1A1CYP3A4CTSBTSHRMAPK1
SCHEMBL8002989 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4CTSBTSHRTDP1
SCHEMBL27880083 0.76 GPR35 (0.50) ALDH1A1CYP3A4CTSBTSHRMAPK1
SCHEMBL202693 0.76 ALDH1A1 (0.63) ALDH1A1CYP3A4CTSBTSHRMAPK1
SCHEMBL27002554 0.76 ALDH1A1 (0.44) ALDH1A1CYP3A4CTSBTSHRMAPK1

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 ALDH1A1 3621/4885CYP3A4 2747/4885CTSB 111/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS ALDH1A1 3277/4885CYP3A4 3619/4885CTSB 635/4885

“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.