SCHEMBL918756

SCHEMBL918756

O=C(c1ccccc1)n1cnnn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 1/20 0.43
F2 P00734 4/20 0.42
PLAU P00749 3/20 0.42
ELANE P08246 3/20 0.42
KLKB1 P03952 2/20 0.42
HPGD P15428 3/20 0.42
MGAM O43451 1/20 0.42
AMY1A P0DUB6 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
SLC9A1 P19634 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
P2RX4 Q99571 1/20 0.41
HMOX1 P09601 1/20 0.41

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
SCHEMBL28492827 0.78 KMT2A (0.51) NOTUMKMT2ASMN1; SMN2RAB9AF2
SCHEMBL21821206 0.75 PLAU (0.54) KMT2ASMN1; SMN2RAB9AF2PLAU
Biphenyl SCHEMBL2202263 0.74 NOTUM (0.44) NOTUMKMT2ASMN1; SMN2RAB9AHPGD
SCHEMBL21816275 0.73 F2 (0.46) KMT2ASMN1; SMN2RAB9AF2PLAU
SCHEMBL1502065 0.73 KMT2A (0.50) NOTUMKMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL3079013 0.73 TP53 (0.54) KMT2ASMN1; SMN2RAB9AGAAALDH1A1
SCHEMBL4502875 0.72
Bicarbonate SCHEMBL15511343 0.72 F2 (0.45) KMT2ASMN1; SMN2RAB9AF2PLAU
SCHEMBL5278040 0.69 KCNJ1 (0.36) KMT2ARAB9AHPGDALDH1A1HMOX1
SCHEMBL1608161 0.69 ALDH1A1 (0.61) KMT2ASMN1; SMN2F2PLAUELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102341378-A PROCESS FOR PREPARATION OF 1-ALKYL-5-BENZOYL-1H-TETRAZOLE DERIVATIVES NIPPON SODA CO 2012-02-01 CN claimed
US-5767270-A PROTECTING EXOCYCLIC AMINO GROUPS ISIS PHARMACEUTICALS, INC. (US) 1998-06-16 US claimed
US-8252919-B2 2′-hydroxy-protected ribonucleoside derivative and production method thereof KANEKA CORPORATION (JP) 2012-08-28 US disclosed
US-20110009609-A1 2'-HYDROXY-PROTECTED RIBONUCLEOSIDE DERIVATIVE AND PRODUCTION METHOD THEREOF KANEKA CORPORATION (JP) 2011-01-13 US disclosed
EP-2258709-A1 2'-HYDROXYL-PROTECTED RIBONUCLEOSIDE DERIVATIVE AND MANUFACTURING METHOD OF SAME Kaneka Corporation (JP) 2010-12-08 EP disclosed
US-6861514-B2 Nucleosidic and non-nucleosidic folate conjugates ISIS PHARMACEUTICALS, INC. (US) 2005-03-01 US disclosed
US-20020049163-A1 Nucleosidic and non-nucleosidic folate conjugates ISIS PHARMACEUTICALS, INC. 2002-04-25 US disclosed
US-6335434-B1 FOR INCREASED MEMBRANE PERMEABILITY OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC., 2002-01-01 US disclosed
WO-1999066063-A9 NUCLEOSIDIC AND NON-NUCLEOSIDIC FOLATE CONJUGATES ISIS PHARMACEUTICALS INC (US) 2000-06-08 WO disclosed
WO-1999066063-A2 NUCLEOSIDIC AND NON-NUCLEOSIDIC FOLATE CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1999-12-23 WO disclosed
US-5767270-A PROTECTING EXOCYCLIC AMINO GROUPS ISIS PHARMACEUTICALS, INC. (US) 1998-06-16 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 (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-20020049163-A1 Nucleosidic and non-nucleosidic folate conjugates MTHFD1, DHFR, FOLR1 NOTUM 1626/4885KMT2A 2141/4885SMN1; SMN2 2160/4885
US-20110009609-A1 2'-HYDROXY-PROTECTED RIBONUCLEOSIDE DERIVATIVE AND PRODUCTION METHOD THEREOF RNASEL, RNASEH1, NUDT1 NOTUM 2260/4885KMT2A 721/4885SMN1; SMN2 1197/4885

“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.