SCHEMBL26436229

SCHEMBL26436229

Cc1cnccc1Nc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
AURKA O14965 3/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CAMK2D Q13557 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CSNK2A1 P68400 1/20 0.44
AURKB Q96GD4 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL24003970 0.85 KMT2A (0.55) NPC1SMN1; SMN2RAB9AAURKAGAA
SCHEMBL26436195 0.81 RAB9A (0.58) NPC1SMN1; SMN2RAB9AGAAKDM4E
SCHEMBL26436207 0.78 KDM4E (0.52) NPC1SMN1; SMN2RAB9AAKR1C3AKR1C2
SCHEMBL26436230 0.78 AURKA (0.55) NPC1SMN1; SMN2RAB9AAURKAAKR1C3
SCHEMBL5925641 0.77 MEN1 (0.54) NPC1SMN1; SMN2RAB9AAURKAAKR1C3
SCHEMBL1887153 0.76 NAPRT (0.64) NPC1SMN1; SMN2RAB9AAURKAGAA
SCHEMBL30828590 0.76 POLB (0.62) SMN1; SMN2GAAKDM4EMAPTALDH1A1
SCHEMBL24003915 0.76 KCNK3 (0.54) SMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL1043517 0.74 KDM4C (0.46) NPC1RAB9AMAPTATMALDH1A1
SCHEMBL10144160 0.74 PTGS2 (0.59) NPC1RAB9AAURKAAKR1C3AKR1C2

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-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 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-20230127046-A1 G9a INHIBITOR EZH2, BMI1, DOT1L NPC1 3716/4885SMN1; SMN2 11/4885RAB9A 420/4885

“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.