SCHEMBL29344202

SCHEMBL29344202

Clc1cc(Br)c2c(Cl)cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.37
CYP1A2 P05177 2/20 0.37
AHR P35869 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL14375274 0.82 AHR (0.42) CYP2A6CYP1A2AHRMEN1KMT2A
SCHEMBL24730689 0.82 CYP1A2 (0.35) CYP2A6CYP1A2AHRMEN1KMT2A
SCHEMBL29418778 0.80 MEN1 (0.39) CYP2A6CYP1A2MEN1KMT2ATSHR
SCHEMBL28681841 0.80 CYP1A2 (0.41) CYP2A6CYP1A2MEN1KMT2AALDH1A1
SCHEMBL24730937 0.80 GAA (0.38) CYP2A6CYP1A2MEN1KMT2ATSHR
SCHEMBL26196853 0.80 CYP2A6 (0.35) CYP2A6CYP1A2MEN1KMT2ATSHR
SCHEMBL22208228 0.80 MEN1 (0.39) CYP2A6CYP1A2MEN1KMT2ATSHR
SCHEMBL29428570 0.78 CYP1A2 (0.42) CYP2A6CYP1A2AHRMEN1KMT2A
SCHEMBL2696664 0.78 CYP1A2 (0.42) CYP2A6CYP1A2AHRMEN1KMT2A
SCHEMBL31739379 0.76 CYP2A6 (0.43) CYP2A6CYP1A2AHRTSHRALDH1A1

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 CYP2A6 3523/4885CYP1A2 4576/4885AHR 3063/4885

“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.