SCHEMBL23607117

SCHEMBL23607117

O=C(Nc1nc2cc(N3CCNCC3)ccc2s1)c1ccccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ATR Q13535 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HSD17B1 P14061 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ TOP1 P11387 2/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ NCS1 P62166 1/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DHODH Q02127 1/20 0.42

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
SCHEMBL23607121 0.85 ATR (0.51) ATRLRRK2TOP1HDAC3HDAC1
SCHEMBL13328295 0.78 LRRK2 (0.78) NPC1RAB9AMEN1KMT2AATR
SCHEMBL3617783 0.77 DHODH (0.65) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL30961700 0.76 RAB9A (0.54) NPC1RAB9AMEN1KMT2AATR
SCHEMBL23607124 0.76 CNR1 (0.71) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL23607113 0.74 NPC1 (0.57) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL28900108 0.73 RAB9A (0.62) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL30961692 0.72 DYRK1A (0.48) NPC1RAB9AMEN1KMT2AATR
Trifluoroacetic Acid SCHEMBL2302768 0.72 LRRK2 (0.68) NPC1RAB9AMEN1KMT2AATR
SCHEMBL18553757 0.71 CCNC (0.53) NPC1RAB9AMEN1KMT2ALRRK2

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-20230103415-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-06 — — US disclosed
WO-2021133917-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-07-01 — — WO 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-20230103415-A1 SMARCA INHIBITORS AND USES THEREOF SMARCC1, SMARCE1, SMARCA1 NPC1 2800/4885RAB9A 3171/4885MEN1 1840/4885

“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.

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