SCHEMBL23409308

SCHEMBL23409308

Nc1cc(C(=O)O)c2c(I)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 3/20 0.41
CASP7 P55210 3/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
MCL1 Q07820 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 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
SCHEMBL29903128 1.00 IDO1 (0.43) IDO1MEN1KMT2ATDP1ALDH1A1
SCHEMBL29903129 1.00 IDO1 (0.43) IDO1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7019157 0.84 HSD17B10 (0.53) IDO1MEN1KMT2ATDP1ALDH1A1
SCHEMBL30118104 0.81 CDC25B (0.47) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL23409342 0.81 CDC25B (0.47) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1619337 0.78 HSD17B10 (0.64) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL29937467 0.78 HSD17B10 (0.64) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL6914207 0.77 HSD17B10 (0.62) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL6913636 0.77 HSD17B10 (0.62) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL6914711 0.77 HSD17B10 (0.62) MEN1KMT2ATDP1ALDH1A1KDM4E

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 11 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-115003677-B Compounds having inhibitory activity against KRAS G12D mutations 大鹏药品工业株式会社 2024-08-27 CN disclosed
EP-4347041-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS Taiho Pharmaceutical Co., Ltd. (JP) 2024-04-10 EP 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
US-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION ASTEX THERAPEUTICS LIMITED (GB) 2023-11-02 US disclosed
WO-2022250170-A9 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-01-05 WO disclosed
WO-2022250170-A9 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-01-05 WO disclosed
EP-4065583-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION Taiho Pharmaceutical Co., Ltd. (JP) 2022-10-05 EP disclosed
CN-115003677-A Compounds having inhibitory activity against KRAS G12D mutation 大鹏药品工业株式会社 2022-09-02 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 (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-20240317759-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS KRAS, NRAS, HRAS IDO1 4760/4885MEN1 290/4885KMT2A 1975/4885
US-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION KRAS, NRAS, HRAS IDO1 4703/4885MEN1 275/4885KMT2A 1326/4885

“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.