SCHEMBL21111643

SCHEMBL21111643

Cc1cc2nc(-c3ccccc3C(=O)O)[nH]c2cc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.68
KDM4E B2RXH2 5/20 0.68
NPC1 O15118 4/20 0.58
ATM Q13315 1/20 0.58
ERAP1 Q9NZ08 1/20 0.58
AMY1A P0DUB6 4/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 1/20 0.52
CRHBP P24387 1/20 0.52
KMT2A Q03164 1/20 0.52
CRHR2 Q13324 1/20 0.52
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
CBFB Q13951 1/20 0.51
GUSB P08236 3/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
HPSE Q9Y251 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
ALDH1A1 P00352 3/20 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
SCHEMBL21111726 0.88 RAB9A (0.56) RAB9AKDM4ENPC1ATMERAP1
SCHEMBL10826272 0.86 KDM4E (0.71) RAB9AKDM4ENPC1POLBMEN1
SCHEMBL12700392 0.85 KDM4E (0.70) RAB9AKDM4ENPC1POLBMEN1
SCHEMBL4494716 0.83 NPC1 (0.68) RAB9AKDM4ENPC1ATMERAP1
SCHEMBL31311065 0.81 KDM4E (1.00) RAB9AKDM4ENPC1POLBMEN1
SCHEMBL3164011 0.81 KDM4E (1.00) RAB9AKDM4ENPC1POLBMEN1
SCHEMBL2946648 0.81 NPC1 (0.70) RAB9AKDM4ENPC1ATMERAP1
Isopropylamine SCHEMBL10826212 0.80 KDM4E (0.59) RAB9AKDM4ENPC1POLBMEN1
SCHEMBL7398247 0.80 AMY1A (0.71) RAB9AKDM4ENPC1ATMERAP1
SCHEMBL28388009 0.80 KDM4E (0.97) RAB9AKDM4ENPC1POLBMEN1

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
EP-3478662-B1 AZADECALIN DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO5) LTD (GB) 2020-09-16 EP disclosed
EP-3478662-B1 AZADECALIN DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO5) LTD (GB) 2020-09-16 EP disclosed
US-20190209550-A1 AZADECALIN DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2019-07-11 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-20190209550-A1 AZADECALIN DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION SAMHD1, AZI2, CDKN1A RAB9A 1139/4885KDM4E 630/4885NPC1 2540/4885

“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.