SCHEMBL5656114

SCHEMBL5656114

O=[N+]([O-])c1ccc(OCCn2cncn2)cc1

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.63
MAPT P10636 4/20 0.63
ALDH1A1 P00352 2/20 0.63
LMNA P02545 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
PKM P14618 1/20 0.56
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 3/20 0.52
TSHR P16473 1/20 0.52
LTA4H P09960 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL6034201 0.78 CYP19A1 (0.57) PKMKMT2ATSHR
SCHEMBL8995469 0.78 SMN1; SMN2 (0.68) SMN1; SMN2MAPTALDH1A1LMNANPC1
SCHEMBL8995473 0.78 ALDH1A1 (0.68) SMN1; SMN2MAPTALDH1A1LMNANPC1
Nitric Acid SCHEMBL6033724 0.78 SMN1; SMN2 (0.53) SMN1; SMN2MAPTALDH1A1LMNANPC1
SCHEMBL13246375 0.78 SMN1; SMN2 (0.77) SMN1; SMN2MAPTALDH1A1LMNANPC1
SCHEMBL10784148 0.78 SMN1; SMN2 (0.72) SMN1; SMN2MAPTALDH1A1LMNANPC1
SCHEMBL16358260 0.78 SMN1; SMN2 (0.72) SMN1; SMN2MAPTALDH1A1LMNANPC1
SCHEMBL6646143 0.78 LTA4H (0.51) MAPTALDH1A1LMNAPKMKDM4E
SCHEMBL5655128 0.78 POLB (0.63) SMN1; SMN2MAPTALDH1A1LMNANPC1
SCHEMBL10932701 0.77 SMN1; SMN2 (0.62) SMN1; SMN2MAPTALDH1A1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 US disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 US disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 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 (4 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-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR SMN1; SMN2 3158/4885MAPT 3073/4885ALDH1A1 873/4885
US-20040133008-A1 Amide compounds APOB, APOL1, LDLR SMN1; SMN2 1836/4885MAPT 4101/4885ALDH1A1 2174/4885
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 SMN1; SMN2 1174/4885MAPT 3095/4885ALDH1A1 519/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR SMN1; SMN2 3224/4885MAPT 3079/4885ALDH1A1 859/4885

“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.