SCHEMBL23409361

SCHEMBL23409361

O=C(O)c1cc([N+](=O)[O-])cc2cccc(I)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLTC Q00610 2/20 0.47
▸ AKR1C4 P17516 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CTSV O60911 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 2/20 0.41

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
SCHEMBL30247949 1.00 CLTC (0.47) CLTCAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11428771 0.86 CLTC (0.50) CLTCAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24837592 0.82 CLTC (0.47) CLTCAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11420063 0.79 ALDH1A1 (0.49) TP53PTPN1ALDH1A1MAPTTDP1
SCHEMBL3895684 0.77 CLTC (0.46) CLTCAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL30118104 0.76 CDC25B (0.47) AKR1C4AKR1C3AKR1C2AKR1C1PTPN1
SCHEMBL23409342 0.76 CDC25B (0.47) AKR1C4AKR1C3AKR1C2AKR1C1PTPN1
SCHEMBL23409308 0.75 IDO1 (0.43) PTPN1ALDH1A1MAPTTDP1CYP3A4
SCHEMBL29903128 0.75 IDO1 (0.43) PTPN1ALDH1A1MAPTTDP1CYP3A4
SCHEMBL29903129 0.75 IDO1 (0.43) PTPN1ALDH1A1MAPTTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317759-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO LTD (JP) 2024-09-26 — — US disclosed
CN-117769554-A Small molecule inhibitors of KRAS muteins 大鹏药品工业株式会社 2024-03-26 — — CN disclosed
WO-2021107160-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 — — WO disclosed
WO-2021106231-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 — — 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 (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-20240317759-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS KRAS, NRAS, HRAS CLTC 2819/4885AKR1C4 3751/4885AKR1C3 3203/4885

“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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