SCHEMBL5548587

SCHEMBL5548587

c1coc(-c2cnc(-c3ccncc3)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 6/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP19A1 P11511 1/20 0.45
KDM4E B2RXH2 5/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
ADORA3 P0DMS8 3/20 0.43
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43

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
SCHEMBL31064975 0.84 ALDH1A1 (0.52) SMN1; SMN2RAB9ANPC1TSHRHSD17B10
SCHEMBL12440870 0.78 NPC1 (0.59) SMN1; SMN2RAB9ANPC1TSHRHSD17B10
SCHEMBL19863968 0.78 LMNA (0.56) RAB9ANPC1MAPTLMNACYP19A1
SCHEMBL5301835 0.76 SIRT1 (0.52) SMN1; SMN2RAB9ANPC1TSHRHSD17B10
SCHEMBL27715112 0.74 MAPT (0.44) SMN1; SMN2RAB9AHSD17B10ALDH1A1MAPT
SCHEMBL7942160 0.74 PDE10A (0.47) RAB9ANPC1HSD17B10ALDH1A1MAPT
SCHEMBL2915360 0.74 FYN (0.43) SMN1; SMN2RAB9ANPC1TSHRHSD17B10
SCHEMBL2908651 0.74 ALDH1A1 (0.42) SMN1; SMN2RAB9ANPC1HSD17B10ALDH1A1
SCHEMBL2646425 0.74 MAPT (0.50) RAB9ANPC1HSD17B10ALDH1A1MAPT
SCHEMBL30463614 0.72 MAPK1 (0.53) ALDH1A1CYP19A1KDM4EADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 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 (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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S SMN1; SMN2 763/4885RAB9A 3871/4885NPC1 3135/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 SMN1; SMN2 1510/4885RAB9A 3592/4885NPC1 4421/4885

“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.