SCHEMBL6180444

SCHEMBL6180444

N#Cc1n[c]nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 6/20 0.44
POLB P06746 2/20 0.39
GPR3 P46089 1/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
BCAT1 P54687 1/20 0.34
GAA P10253 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ADORA2A P29274 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ELANE P08246 1/20 0.33
TP53 P04637 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
CASP1 P29466 2/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL17753300 0.71 KDM4E (0.52) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL4756470 0.71 USP8 (0.36) ELANETSHRUSP8
SCHEMBL1994622 0.69 ADORA2A (0.59) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL7039137 0.68 GPR3 (0.39) ALDH1A1KDM4EPOLBGPR3MAPT
SCHEMBL637547 0.68 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBGPR3MAPT
SCHEMBL623055 0.68 DCPS (0.48) ALDH1A1KDM4EPOLBGPR3MAPT
SCHEMBL7972478 0.68 PDE4A (0.48) ALDH1A1KDM4EGPR3MAPTSMN1; SMN2
SCHEMBL558169 0.68 CYP1A2 (0.39) ALDH1A1KDM4EPOLBGPR3MAPT
SCHEMBL1993804 0.67 KDM4E (0.57) ALDH1A1KDM4EPOLBGPR3MAPT
SCHEMBL1772179 0.67 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBGPR3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1291345-B1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6924276-B2 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-02 US disclosed
US-20040039208-A1 Process for making n-aryl-anthranilic acids and their derivatives CHEN MICHAEL HUAI GU (US) 2004-02-26 US disclosed
EP-1313694-A1 PROCESS FOR MAKING N-ARYL-ANTHRANILIC ACIDS AND THEIR DERIVATIVES WARNER-LAMBERT COMPANY (US) 2003-05-28 EP disclosed
US-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors SORENSON RODERICK JOSEPH (US) 2003-05-08 US disclosed
EP-1291345-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2003-03-12 EP disclosed
WO-2002018319-A1 PROCESS FOR MAKING N-ARYL-ANTHRANILIC ACIDS AND THEIR DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2002-03-07 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 (2 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-20040039208-A1 Process for making n-aryl-anthranilic acids and their derivatives AADAC, AHR, AADAT ALDH1A1 371/4885KDM4E 861/4885POLB 2913/4885
US-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP3, MMP9 ALDH1A1 732/4885KDM4E 1800/4885POLB 1256/4885

“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.