SCHEMBL5542855

SCHEMBL5542855

O=C(O)c1nc2cnccc2s1.[LiH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
LRRK2 Q5S007 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HPGD P15428 1/20 0.40
NAMPT P43490 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38

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
SCHEMBL10990606 0.98 CYP2C9 (0.44) CYP2C9LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL22445943 0.84 NAMPT (0.51) LRRK2NPC1RAB9ASMN1; SMN2PKM
SCHEMBL26538335 0.83 CYP2C9 (0.46) CYP2C9LRRK2MEN1MAPTKMT2A
SCHEMBL10991803 0.83 LRRK2 (0.49) CYP2C9LRRK2NPC1RAB9ASMN1; SMN2
Lithium Ion SCHEMBL5542846 0.81 CYP2C9 (0.42) CYP2C9LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL20364263 0.79 ALDH1A1 (0.65) CYP2C9LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL2174930 0.75 CYP2C9 (0.56) CYP2C9NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL836745 0.74 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL28727291 0.74 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2PKMNFKB1
Hydrochloric Acid SCHEMBL3610419 0.73 SMN1; SMN2 (0.63) NPC1RAB9ASMN1; SMN2PKMNFKB1

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 5 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
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 CYP2C9 1806/4885LRRK2 2451/4885NPC1 3135/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 CYP2C9 72/4885LRRK2 4179/4885NPC1 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.