SCHEMBL29953316

SCHEMBL29953316

O=C(c1ccc(B(O)O)c(F)c1)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
RECQL P46063 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 2/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
LMNA P02545 1/20 0.49
CNR2 P34972 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL29955262 0.88 HPGD (0.58) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL15286277 0.86 KMT2A (0.75) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL29956836 0.86 MEN1 (0.56) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL18587775 0.86 MEN1 (0.56) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL9885999 0.85 HPGD (0.57) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29944147 0.83 MEN1 (0.71) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL19088580 0.83 HPGD (0.68) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL2655426 0.82 KMT2A (0.73) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL19887433 0.81 HPGD (0.69) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL12183401 0.81 HPGD (0.67) HPGDALDH1A1KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-30 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HPGD 413/4885ALDH1A1 4740/4885KMT2A 2422/4885

“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.