SCHEMBL21633886

SCHEMBL21633886

O=C(NN=Cc1nccc2ccccc12)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ AGTR1 P30556 1/20 0.60
▸ OPRK1 P41145 1/20 0.60
▸ NCOA3 Q9Y6Q9 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ GCGR P47871 1/20 0.51
▸ PAX8 Q06710 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ TDP1 Q9NUW8 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
SCHEMBL21633885 1.00 RAB9A (0.60) RAB9ANPC1AGTR1OPRK1NCOA3
SCHEMBL21649903 0.90 NCOA3 (0.64) RAB9ANPC1NCOA3SMN1; SMN2MEN1
SCHEMBL24023673 0.86 NCOA3 (0.56) RAB9ANPC1AGTR1OPRK1NCOA3
SCHEMBL12746295 0.76 RAB9A (1.00) RAB9ANPC1AGTR1OPRK1SMN1; SMN2
SCHEMBL13380986 0.75 NCOA3 (0.77) NCOA3KMT2AKDM4EHTTMAPT
SCHEMBL782069 0.74 NCOA3 (1.00) NCOA3KDM4EHTTLMNAALDH1A1
SCHEMBL29773648 0.74 NCOA3 (1.00) NCOA3KDM4EHTTLMNAALDH1A1
SCHEMBL13927328 0.74 NCOA3 (1.00) NCOA3KDM4EHTTLMNAALDH1A1
SCHEMBL31237388 0.74 NCOA3 (1.00) NCOA3KDM4EHTTLMNAALDH1A1
SCHEMBL28484762 0.73 RAB9A (0.74) RAB9ANPC1AGTR1OPRK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355103-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2021-11-18 — — US disclosed
US-20210355103-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2021-11-18 — — US disclosed
WO-2020023802-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE (US) 2020-01-30 — — WO disclosed
WO-2020023802-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE (US) 2020-01-30 — — 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-20210355103-A1 PARG INHIBITORS AND METHOD OF USE THEREOF PARG, PARP12, PARN RAB9A 2600/4885NPC1 1065/4885AGTR1 4369/4885

“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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