SCHEMBL3620308

SCHEMBL3620308

O=C(Nc1ccncc1C(=O)O)c1ccc(Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 3/20 0.51
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
DAO P14920 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 4/20 0.45
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPT P10636 1/20 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
SCHEMBL3618151 0.89 KDM4C (0.58) PRSS12NPC1RAB9AKMT2AMEN1
SCHEMBL3615049 0.86 KMT2A (0.57) PRSS12NPC1RAB9AKMT2AMEN1
SCHEMBL4634559 0.81 KMT2A (0.49) PRSS12NPC1RAB9AKMT2AMEN1
SCHEMBL3614718 0.79 PRSS12 (0.52) PRSS12NPC1RAB9AKMT2AMEN1
SCHEMBL3604192 0.78 KMT2A (0.57) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL4634602 0.78 KMT2A (0.46) PRSS12NPC1RAB9AKMT2AMEN1
SCHEMBL4633165 0.76 KMT2A (0.49) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL1308259 0.75 PRSS12 (0.63) PRSS12KMT2AMEN1HPGDALDH1A1
SCHEMBL3618064 0.74 NPC1 (0.60) PRSS12NPC1RAB9AKMT2AMEN1
SCHEMBL4633505 0.74 KMT2A (0.49) NPC1RAB9AKMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004292-A1 Iminooxazolidine Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
US-20100004292-A1 Iminooxazolidine Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
US-20100004292-A1 Iminooxazolidine Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
EP-1928868-A1 IMINOOXAZOLIDINE DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2008-06-11 EP disclosed
WO-2007028520-A1 IMINOOXAZOLIDINE DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-03-15 WO disclosed
WO-2007028520-A1 IMINOOXAZOLIDINE DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-03-15 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 (1 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-20100004292-A1 Iminooxazolidine Derivatives and Their Use PPOX, XDH, PNPO PRSS12 3975/4885NPC1 2710/4885RAB9A 3775/4885

“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.