SCHEMBL994597

SCHEMBL994597

Cc1cc(CCl)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
NCF1 P14598 5/20 0.56
KMT2A Q03164 2/20 0.48
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP13 P45452 1/20 0.45
ADAM17 P78536 1/20 0.45

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 SCHEMBL1504665 0.98 CYP1A2 (0.58) CYP1A2NCF1KMT2ACYP2C19SMN1; SMN2
SCHEMBL8232676 0.82 CYP1A2 (0.62) CYP1A2NCF1KMT2ACYP2C19SMN1; SMN2
SCHEMBL1366357 0.82 CYP1A2 (0.62) CYP1A2NCF1KMT2ACYP2C19SMN1; SMN2
SCHEMBL6788480 0.81 CYP1A2 (0.56) CYP1A2NCF1KMT2ACYP2C19SMN1; SMN2
SCHEMBL6628180 0.81 LMNA (0.61) CYP1A2KMT2ASMN1; SMN2KDM4EHTT
SCHEMBL6494921 0.81 CYP1A2 (0.60) CYP1A2NCF1KMT2ACYP2C19SMN1; SMN2
SCHEMBL3921968 0.81 CYP1A2 (0.60) CYP1A2NCF1KMT2ACYP2C19SMN1; SMN2
SCHEMBL265139 0.81 NCF1 (0.61) CYP1A2NCF1CYP2C19SMN1; SMN2KDM4E
SCHEMBL6494917 0.81 CYP1A2 (0.60) CYP1A2NCF1KMT2ACYP2C19SMN1; SMN2
SCHEMBL5898542 0.81 CYP1A2 (0.60) CYP1A2NCF1CYP2C19SMN1; SMN2KDM4E

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 225 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006137-A1 Asymmetric synthesis of amino-pyrrolidinones and a crystalline, free-base amino-pyrrolidinone BRISTOL-MYERS SQUIBB COMPANY 2004-01-08 US claimed
WO-2004002956-A2 ASYMMETRIC SYNTHESIS OF AMINO-PYRROLIDINONES AND A CRYSTALLINE, FREE-BASE AMINO-PYRROLIDINONE BRISTOL MYERS SQUIBB COMPANY (US) 2004-01-08 WO claimed
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE HOLDINGS CORPORATION (US) 2019-03-12 US disclosed
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2018-06-07 US disclosed
US-9801877-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2017-02-09 US disclosed
US-20160280650-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-09-29 US disclosed
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-9403775-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2016-08-02 US disclosed
WO-2001070673-A2 CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed
EP-1087937-A1 CYCLIC HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-04-04 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
WO-2000059285-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
WO-1999065867-A1 CYCLIC HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-12-23 WO disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 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 (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-20160280650-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS TYR, ARSA, NISCH CYP1A2 288/4885NCF1 3259/4885KMT2A 1679/4885
US-20040006137-A1 Asymmetric synthesis of amino-pyrrolidinones and a crystalline, free-base amino-pyrrolidinone MMP8, MMP9, ADAM8 CYP1A2 313/4885NCF1 1089/4885KMT2A 392/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 CYP1A2 173/4885NCF1 1966/4885KMT2A 1125/4885
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 CYP1A2 173/4885NCF1 1966/4885KMT2A 1125/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 CYP1A2 173/4885NCF1 1966/4885KMT2A 1125/4885

“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.