SCHEMBL23613609

SCHEMBL23613609

O=S(=O)(NCCOc1ccc2ccccc2c1)c1ccc(NO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 2/20 1.00
▸ HRAS P01112 1/20 1.00
▸ MEN1 O00255 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.52
▸ NRAS P01111 1/20 0.49
▸ PPARG P37231 2/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ F2 P00734 1/20 0.45
▸ TPSAB1 Q15661 1/20 0.45

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
SCHEMBL31741888 1.00 KRAS (1.00) KRASHRASMEN1HTTKMT2A
SCHEMBL31741902 1.00 KRAS (1.00) KRASHRASMEN1HTTKMT2A
SCHEMBL17486851 0.81 HRAS (0.69) KRASHRASMEN1HTTKMT2A
SCHEMBL14712382 0.79 NPSR1 (0.67) KRASHRASMEN1HTTKMT2A
SCHEMBL17486850 0.75 HRAS (0.60) KRASHRASMEN1HTTKMT2A
SCHEMBL23843621 0.73 HRAS (0.58) KRASHRASMEN1HTTKMT2A
SCHEMBL14132207 0.73 F2 (0.58) KRASHRASNPSR1F2
SCHEMBL3897403 0.72 HRAS (0.57) KRASHRASMEN1HTTKMT2A
SCHEMBL16056766 0.72 HRAS (0.56) KRASHRASMEN1HTTKMT2A
SCHEMBL411104 0.72 ALDH1A1 (0.79) KRASHRASMEN1HTTKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11052154-B2 Ras protein degradation inducing molecule and pharmaceutical composition TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2021-07-06 — — US 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 (1 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-11052154-B2 Ras protein degradation inducing molecule and pharmaceutical composition KRAS, G3BP1, NRAS KRAS 1/4885HRAS 8/4885MEN1 2048/4885

“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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