SCHEMBL5674584

SCHEMBL5674584

CCN(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
CRHBP P24387 2/20 0.57
CRHR2 Q13324 2/20 0.57
ALDH1A1 P00352 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
TLR9 Q9NR96 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
PHLPP2 Q6ZVD8 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MMP14 P50281 1/20 0.49
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46

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
Hydrochloric Acid SCHEMBL8571681 0.98 MAPT (0.67) MAPTCRHBPCRHR2ALDH1A1L3MBTL1
SCHEMBL8914784 0.90 MAPT (0.58) MAPTCRHBPCRHR2ALDH1A1L3MBTL1
SCHEMBL9847298 0.90 MAPT (0.58) MAPTCRHBPCRHR2ALDH1A1L3MBTL1
SCHEMBL17787279 0.90 MMP14 (0.63) MAPTCRHBPCRHR2ALDH1A1L3MBTL1
SCHEMBL14063276 0.90 MMP14 (0.63) MAPTCRHBPCRHR2ALDH1A1L3MBTL1
SCHEMBL18660127 0.86 MAPT (0.77) MAPTCRHBPCRHR2ALDH1A1L3MBTL1
SCHEMBL16706324 0.85 MAPT (0.81) MAPTCRHBPCRHR2ALDH1A1L3MBTL1
SCHEMBL9748257 0.82 MAPT (0.62) MAPTCRHBPCRHR2ALDH1A1L3MBTL1
SCHEMBL6712476 0.82 MAPT (1.00) MAPTCRHBPCRHR2ALDH1A1L3MBTL1
SCHEMBL160430 0.82 ALDH1A1 (0.57) MAPTCRHBPCRHR2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018113624-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY 深圳微芯生物科技有限责任公司 2018-06-28 WO disclosed
US-20080108576-A1 Novel cytostatic conjugates with integrin ligands BAYER AKTIENGESELLSCHAFT (DE) 2008-05-08 US disclosed
US-7304037-B2 Cytostatic conjugates with integrin ligands BAYER AKIENGESELLSCHAFT (DE) 2007-12-04 US disclosed
US-7304037-B2 Cytostatic conjugates with integrin ligands BAYER AKIENGESELLSCHAFT (DE) 2007-12-04 US disclosed
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-7148240-B2 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same SANOFI-AVENTIS (FR) 2006-12-12 US disclosed
US-20040010011-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same SANOFI (FR) 2004-01-15 US disclosed
US-4011173-A MODIFIED NEMATIC MIXTURES WITH POSITIVE DIELECTRIC ANISOTROPY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-03-08 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 (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-20040010011-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same ABAT, TNNT2, BCAT1 MAPT 2115/4885CRHBP 3334/4885CRHR2 4141/4885
US-20080108576-A1 Novel cytostatic conjugates with integrin ligands ITGB3, ITGAV, ITGB5 MAPT 4589/4885CRHBP 3477/4885CRHR2 3677/4885

“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.