SCHEMBL22028845

SCHEMBL22028845

COc1ccc(CNC(C)CNC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.49
PKM P14618 1/20 0.47
LDHA P00338 1/20 0.47
POLB P06746 1/20 0.47
CASR P41180 1/20 0.47

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
SCHEMBL22062857 0.82 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL25402495 0.82 L3MBTL1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL25402492 0.82 L3MBTL1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21066543 0.82 NPC1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1695235 0.81 NPC1 (0.66) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL20495657 0.80 MEN1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL20578306 0.79 L3MBTL1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL20578308 0.79 L3MBTL1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6237220 0.78 LDHA (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28049334 0.78 LDHA (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1

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
US-20230089126-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2023-03-23 US disclosed
US-11236068-B2 Fused ring compounds GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20210230142-A9 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-07-29 US disclosed
EP-3735299-A2 FUSED RING COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-11-11 EP disclosed
US-20200181118-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2020-06-11 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 (4 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-20210230142-A9 FUSED RING COMPOUNDS KRAS, NRAS, HRAS ALDH1A1 3258/4885NPC1 952/4885RAB9A 57/4885
US-20230089126-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS ALDH1A1 3258/4885NPC1 952/4885RAB9A 57/4885
US-20200181118-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS ALDH1A1 3258/4885NPC1 952/4885RAB9A 57/4885
US-11236068-B2 Fused ring compounds KRAS, NRAS, HRAS ALDH1A1 3258/4885NPC1 952/4885RAB9A 57/4885

“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.