SCHEMBL20536005

SCHEMBL20536005

Nc1cc(Cl)cc(O)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ TSHR P16473 2/20 0.50
▸ CYP3A4 P08684 2/20 0.49
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX15 P16050 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ GRIN2D O15399 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
SCHEMBL9771595 0.86 ALDH1A1 (0.60) ALDH1A1TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL2645579 0.80 ALDH1A1 (0.72) ALDH1A1TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL6492614 0.80 TSHR (0.72) ALDH1A1TSHRCYP3A4HPGDLMNA
SCHEMBL31053021 0.80 TSHR (0.72) ALDH1A1TSHRCYP3A4HPGDLMNA
SCHEMBL28334959 0.78 GAA (0.47) ALDH1A1TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL11098117 0.77 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4HPGDMAPK1
SCHEMBL1116034 0.77 CYP3A4 (0.58) ALDH1A1TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL1248770 0.73 GPR35 (0.65) ALDH1A1CYP3A4LMNAMAPTHTT
SCHEMBL4695676 0.73 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4LMNAMAPT
SCHEMBL11622992 0.73 GPR35 (0.65) ALDH1A1CYP3A4LMNAMAPTHTT

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 3621/4885TSHR 3440/4885CYP3A4 2747/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS ALDH1A1 3277/4885TSHR 3540/4885CYP3A4 3619/4885

“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.

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