SCHEMBL3598355

SCHEMBL3598355

CC1Cc2cc(-c3csc(NC(=N)N)n3)ccc2N1S(C)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.69
MAPT P10636 7/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
NR2F2 P24468 2/20 0.69
HTT P42858 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
LMNA P02545 3/20 0.67
TSHR P16473 1/20 0.67
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
CYP3A4 P08684 1/20 0.49
USP2 O75604 2/20 0.45
TP53 P04637 1/20 0.44
HSD17B10 Q99714 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
ABL1 P00519 4/20 0.41
ALOX15 P16050 1/20 0.39

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
SCHEMBL3610538 0.83 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2NR2F2HTT
SCHEMBL3604832 0.81 MAPT (0.78) ALDH1A1MAPTSMN1; SMN2NR2F2HTT
SCHEMBL3604493 0.81 NPC1 (0.54) ALDH1A1MAPTSMN1; SMN2NR2F2HTT
SCHEMBL3608764 0.81 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2NR2F2HTT
SCHEMBL17456987 0.80 MAPT (1.00) ALDH1A1MAPTSMN1; SMN2NR2F2HTT
SCHEMBL29839931 0.80 MAPT (1.00) ALDH1A1MAPTSMN1; SMN2NR2F2HTT
SCHEMBL27768288 0.79 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2NR2F2HTT
SCHEMBL3609848 0.74 RAB9A (0.59) ALDH1A1MAPTSMN1; SMN2LMNANPC1
SCHEMBL3607158 0.72 RAB9A (0.75) ALDH1A1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL3603474 0.72 RAB9A (0.71) ALDH1A1MAPTSMN1; SMN2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20100063043-A1 SUBSTITUTED 2-OXO-3-PHENYL-5-CARBONYLAMINOMETHYL-1, 3-OXAZOLINES AND THEIR USE AS ANTICOAGULANT AND ANTITHROMBOTICS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-11 US disclosed
US-7582666-B2 Substituted 2-oxo-3-phenyl-5-carbonylaminomethyl-1,3-oxazolines and their use as anticoagulant and antithrombotics BAYER SCHERING PHARMA AG (DE) 2009-09-01 US disclosed
US-20060173047-A1 Substituted 2-oxo-3-phenyl-5-carbonylaminomethyl-1, 3-oxazolines and their use as anticoagulant and antithrombotics BAYER AKTIENGESELLSCHAFT (DE) 2006-08-03 US disclosed
US-7034017-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER AKTIENGESELLSCHAFT (DE) 2006-04-25 US disclosed
US-20050080081-A1 Substituted oxazolidinones and their use in the field of blood coagulation BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-04-14 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 (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-20060173047-A1 Substituted 2-oxo-3-phenyl-5-carbonylaminomethyl-1, 3-oxazolines and their use as anticoagulant and antithrombotics F2, SERPINC1, PROC ALDH1A1 130/4885MAPT 4861/4885SMN1; SMN2 2917/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 ALDH1A1 1302/4885MAPT 2/4885SMN1; SMN2 96/4885
US-20050080081-A1 Substituted oxazolidinones and their use in the field of blood coagulation F2, F11, F12 ALDH1A1 247/4885MAPT 4680/4885SMN1; SMN2 3089/4885
US-20100063043-A1 SUBSTITUTED 2-OXO-3-PHENYL-5-CARBONYLAMINOMETHYL-1, 3-OXAZOLINES AND THEIR USE AS ANTICOAGULANT AND ANTITHROMBOTICS F2, SERPINC1, PROC ALDH1A1 130/4885MAPT 4861/4885SMN1; SMN2 2917/4885

“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.