SCHEMBL5513951

SCHEMBL5513951

CN([C]=O)Cc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
CHRM5 P08912 2/20 0.38
CHKA P35790 1/20 0.38
USP2 O75604 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 2/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TYMS P04818 1/20 0.35

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
SCHEMBL6826869 0.80 CYP1A2 (0.42) LOXL2SMN1; SMN2KDM4ECYP2C9CYP2C19
SCHEMBL4787627 0.79 USP2 (0.41) MMP13LOXL2CHRM5CHKAUSP2
SCHEMBL967208 0.78 TSHR (0.56) USP2SMN1; SMN2CYP3A4ALDH1A1TSHR
SCHEMBL6826606 0.77 CHRNB2 (0.65) KDM4ECYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL4982672 0.75 PYCR1 (0.52) ALDH1A1MEN1KMT2ALMNA
SCHEMBL5534481 0.75 PYCR1 (0.52) KDM4ECYP2C19CYP1A2CYP2D6ALDH1A1
SCHEMBL5548149 0.75 PYCR1 (0.52) SMN1; SMN2KDM4EALDH1A1TSHRHTT
SCHEMBL10501196 0.75 LOXL2 (0.43) LOXL2USP2CYP2C9CYP2C19CYP1A2
SCHEMBL1602718 0.75 ALDH1A1 (0.56) MMP13LOXL2CHRM5CHKASMN1; SMN2
SCHEMBL27947483 0.75 SMN1; SMN2 (0.50) MMP13LOXL2CHRM5CHKASMN1; 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992017176-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-10-15 WO claimed
US-5151438-A Enzyme inhibitors for treatment of aids ABBOTT LABORATORIES (US) 1992-09-29 US claimed
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
CN-1893941-A Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC (JP) 2007-01-10 CN disclosed
US-7112600-B1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2006-09-26 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-6770666-B2 A THERAPEUTIC AGENT FOR TREATING HEPATITIS C, BASED ON POLYMERASE INHIBITORY ACTIVITY JAPAN TOBACCO INC. (JP) 2004-08-03 US disclosed
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
CN-1093701-A Antiretroviral hydrazine derivative CIBA GEIGY AG (CH) 1994-10-19 CN disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP 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 (5 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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C MMP13 1341/4885LOXL2 4855/4885CHRM5 4858/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C MMP13 3079/4885LOXL2 4873/4885CHRM5 4849/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C MMP13 3071/4885LOXL2 4868/4885CHRM5 4860/4885
US-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 MMP13 238/4885LOXL2 3067/4885CHRM5 239/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 MMP13 3386/4885LOXL2 4851/4885CHRM5 4822/4885

“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.