SCHEMBL3865237

SCHEMBL3865237

C#CCNC(=O)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ EPHX1 P07099 1/20 0.59
▸ PTPN1 P18031 2/20 0.57
▸ EPHX2 P34913 1/20 0.56
▸ PPID Q08752 1/20 0.54
▸ TP53 P04637 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP2C9 P11712 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ P2RX7 Q99572 1/20 0.50
▸ KEAP1 Q14145 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CFD P00746 1/20 0.49

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
SCHEMBL714625 0.84 EPHX1 (0.77) SMN1; SMN2EPHX1PTPN1EPHX2PPID
SCHEMBL7749740 0.84 SMN1; SMN2 (0.66) SMN1; SMN2EPHX1PTPN1EPHX2PPID
SCHEMBL2085393 0.82 SMN1; SMN2 (0.64) SMN1; SMN2EPHX1PTPN1EPHX2PPID
SCHEMBL970225 0.79 SMN1; SMN2 (0.70) SMN1; SMN2EPHX1PTPN1EPHX2PPID
SCHEMBL13049648 0.78 SMN1; SMN2 (1.00) SMN1; SMN2EPHX1PTPN1EPHX2PPID
SCHEMBL27942162 0.77 NPC1 (0.83) SMN1; SMN2EPHX1LMNAL3MBTL1ALDH1A1
SCHEMBL969258 0.77 SMN1; SMN2 (0.67) SMN1; SMN2EPHX1PTPN1EPHX2PPID
SCHEMBL6033584 0.77 TP53 (0.75) SMN1; SMN2EPHX1PTPN1EPHX2TP53
SCHEMBL15272208 0.76 MEN1 (0.55) EPHX2LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL1134902 0.76 EPHX1 (0.71) SMN1; SMN2EPHX1PTPN1EPHX2PPID

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
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 — — US disclosed
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 — — US disclosed
WO-2014205414-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-12-24 — — WO disclosed
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 — — US disclosed
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 — — US disclosed
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 — — US disclosed
EP-1873159-A1 Substituted sulphonamido-macrocycles as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 — — EP disclosed
EP-1873159-A1 Substituted sulphonamido-macrocycles as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 — — EP disclosed
WO-2007147575-A2 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISINGS SAME, METHODS OF PREPARING SAME AND USES SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 — — 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-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO SMN1; SMN2 1033/4885EPHX1 3535/4885PTPN1 1974/4885
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME TIE1, KDR, TEK SMN1; SMN2 764/4885EPHX1 2930/4885PTPN1 135/4885

“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.

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