SCHEMBL12418312

SCHEMBL12418312

O=S(=O)(O)N1CCCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
TSHR P16473 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
AKR1C3 P42330 1/20 0.56
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
NOTUM Q6P988 1/20 0.51
HCRTR1 O43613 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL6823897 0.98 KMT2A (0.58) KMT2AMEN1TSHRL3MBTL1AKR1C3
Hydrochloric Acid SCHEMBL28136330 0.98 KMT2A (0.58) KMT2AMEN1TSHRL3MBTL1AKR1C3
SCHEMBL3496093 0.89 KMT2A (0.58) KMT2AMEN1TSHRL3MBTL1AKR1C3
SCHEMBL31254284 0.89 KMT2A (0.58) KMT2AMEN1TSHRL3MBTL1AKR1C3
SCHEMBL6827755 0.87 KMT2A (0.57) KMT2AMEN1TSHRL3MBTL1AKR1C3
SCHEMBL30866830 0.84 TSHR (0.59) KMT2AMEN1TSHRL3MBTL1AKR1C3
SCHEMBL5261945 0.84 TSHR (0.59) KMT2AMEN1TSHRL3MBTL1AKR1C3
SCHEMBL13311778 0.82 KMT2A (0.60) KMT2AMEN1TSHRL3MBTL1AKR1C3
SCHEMBL29595267 0.82 L3MBTL1 (0.60) KMT2AMEN1TSHRL3MBTL1AKR1C3
SCHEMBL1134878 0.82 TSHR (0.57) KMT2AMEN1TSHRL3MBTL1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 EP disclosed
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed
US-8530137-B2 Photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-10 US disclosed
US-20110200935-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 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-20110200935-A1 PHOTORESIST COMPOSITION C1R, F12, C1S KMT2A 2752/4885MEN1 2992/4885TSHR 2611/4885

“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.