SCHEMBL23749804

SCHEMBL23749804

Cc1ccc(-n2ncc(C)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.49
NPC1 O15118 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HIF1A Q16665 1/20 0.45
KMT2A Q03164 1/20 0.45
XDH P47989 1/20 0.45
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL12180754 0.83 NR3C1 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL24185327 0.83 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3841619 0.83 MAPK1 (0.58) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL12922837 0.81 MAPK1 (0.40) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL12991623 0.80 NPC1 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL23130664 0.79 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL23399041 0.79 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9969915 0.79 XDH (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL23400559 0.79 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4544365 0.76 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
WO-2021156774-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2021-08-12 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-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 RAB9A 2497/4885NPC1 719/4885SMN1; SMN2 128/4885

“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.