SCHEMBL26436227

SCHEMBL26436227

COc1cc(Nc2ccc(C(=O)O)cc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
AURKA O14965 3/20 0.48
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
SORT1 Q99523 1/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
AURKB Q96GD4 1/20 0.45
KDR P35968 1/20 0.45
ATM Q13315 1/20 0.44
SYK P43405 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
CHEK1 O14757 1/20 0.43
NTRK2 Q16620 1/20 0.43
KDM6B O15054 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
SCHEMBL26436193 0.82 EGFR (0.56) NPC1SMN1; SMN2RAB9AKDRKDM4E
SCHEMBL24003836 0.80 NPC1 (0.56) AKR1C3AKR1C2AURKASORT1NPC1
SCHEMBL29556902 0.77 KDM4C (0.57) RAB9ASYKKDM4EMAPTKDM6B
SCHEMBL229446 0.77 KDM4C (0.57) RAB9ASYKKDM4EMAPTKDM6B
SCHEMBL12893946 0.77 CAMK2D (0.65) AURKANPC1SMN1; SMN2RAB9AAURKB
SCHEMBL15880285 0.76 SORT1 (0.55) SORT1KDRKCNK3KCNK9HDAC4
Hydrochloric Acid SCHEMBL5564185 0.76 KDM4C (0.56) SYKKDM4EMAPTKDM6BKDM5C
SCHEMBL5442673 0.74 CA1 (0.77) AKR1C3AKR1C2NPC1SMN1; SMN2RAB9A
SCHEMBL113971 0.73 KCNK9 (0.66) SORT1NPC1SMN1; SMN2RAB9AKCNK3
SCHEMBL12893944 0.73 ROCK1 (0.53) AURKANPC1SMN1; SMN2RAB9AKDM4E

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 AKR1C3 3785/4885AKR1C2 2880/4885AURKA 3365/4885

“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.