SCHEMBL29344241

SCHEMBL29344241

Nc1c(O)c(F)cc(F)c1Br

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.38
KDM1A O60341 2/20 0.33
PTPN1 P18031 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM1B Q8NB78 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
VRK1 Q99986 1/20 0.32
CA9 Q16790 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
ERN1 O75460 1/20 0.30

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
SCHEMBL29937286 1.00 AKR1B1 (0.38) AKR1B1KDM1APTPN1HDAC1HDAC6
SCHEMBL5506992 0.75 CA1 (0.36) HDAC1HDAC6CA1CA2VRK1
SCHEMBL28192070 0.75 CA1 (0.36) KDM1AHDAC1HDAC6KDM1BCA1
SCHEMBL31507839 0.75 AKR1B1 (0.41) AKR1B1KDM1APTPN1KDM1BCA1
SCHEMBL18614485 0.74 CA1 (0.35) AKR1B1KDM1AHDAC1HDAC6KDM1B
SCHEMBL23899944 0.71 AKR1B1 (0.38) AKR1B1PTPN1CA1CA2CA4
SCHEMBL26981490 0.71 KDM1A (0.33) KDM1AHDAC1HDAC6KDM1BCA1
SCHEMBL14576957 0.71 CA1 (0.33) AKR1B1KDM1AHDAC1HDAC6KDM1B
SCHEMBL17797154 0.70 CA1 (0.48) AKR1B1KDM1AHDAC1HDAC6KDM1B
SCHEMBL11591491 0.70 VRK1 (0.38) HDAC1HDAC6VRK1ERN1

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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS AKR1B1 3240/4885KDM1A 2745/4885PTPN1 533/4885

“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.