SCHEMBL29945525

SCHEMBL29945525

Oc1cccc2c1CNNC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
DRD2 P14416 4/20 0.40
DRD3 P35462 2/20 0.40
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HPN P05981 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL19028377 1.00 BCL2L1 (0.48) BCL2L1BADDRD2DRD3DRD1
SCHEMBL3961093 0.82 BCL2L1 (0.48) BCL2L1BADDRD2DRD3DRD1
Bromide SCHEMBL384160 0.80 BCL2L1 (0.47) BCL2L1BADDRD2DRD3DRD1
Hydrochloric Acid SCHEMBL11569899 0.80 BCL2L1 (0.47) BCL2L1BADDRD2DRD3DRD1
SCHEMBL30826977 0.72 CD44 (0.61) BCL2L1BADDRD2DRD3PNMT
SCHEMBL29914246 0.72 PNMT (0.67) BCL2L1BADPNMT
SCHEMBL3157785 0.72 PNMT (0.67) BCL2L1BADPNMT
SCHEMBL1956718 0.72 CD44 (0.61) BCL2L1BADDRD2DRD3PNMT
SCHEMBL9218467 0.72 BCL2L1 (0.44) BCL2L1BADDRD2DRD3DRD1
SCHEMBL14247747 0.71 BCL2L1 (0.38) BCL2L1BADDRD2DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306635-A1 TDO2 Inhibitors GENENTECH, INC. 2022-09-29 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-20220306635-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 BCL2L1 2392/4885BAD 1706/4885DRD2 1902/4885

“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.