Sugi Predict

Sugi Predict / Compounds / SCHEMBL62675

SCHEMBL62675

SCHEMBL62675

O=C(CCCc1ccccc1)N(Cc1ccco1)c1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.36
▸ POLB P06746 3/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL4599282 0.70 CCNB2 (0.36) POLBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL63354 0.68 CDK1 (0.61) TSHRPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL17901712 0.66 NSD2 (0.34) LMNA
SCHEMBL13718046 0.64 FLT4 (0.35) —
SCHEMBL16783778 0.61 ADORA3 (0.39) ADORA2AADORA1ADORA3ADORA2BHTT
SCHEMBL4599284 0.61 PI4KA (0.32) —
SCHEMBL6699970 0.60 PI4KA (0.59) SMN1; SMN2ADORA2AADORA1LMNAHPGD
SCHEMBL7364038 0.58 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2HPGDCYP3A4
SCHEMBL31744535 0.57 MAPT (0.68) TSHRPOLBALDH1A1MAPTMEN1
SCHEMBL13717456 0.56 NPSR1 (0.40) NPSR1

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
EP-1926703-B1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS BV (NL) 2013-01-09 — — EP disclosed
US-8129562-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2012-03-06 — — US disclosed
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. 2011-05-26 — — US disclosed
US-7906496-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2011-03-15 — — US disclosed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 — — US disclosed
EP-1926703-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP Assets B.V. (NL) 2008-06-04 — — EP disclosed
WO-2007039059-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2007-04-12 — — 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 (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-20090258887-A1 Novel Carboxylic Acid Derivatives AADAC, ALDH7A1, DDC TSHR 2998/4885POLB 4497/4885ALDH1A1 7/4885
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES AADAC, ALDH7A1, ALDH18A1 TSHR 2709/4885POLB 4571/4885ALDH1A1 6/4885

“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.