Sugi Predict

Sugi Predict / Compounds / SCHEMBL13012425

SCHEMBL13012425

SCHEMBL13012425

C=CCNCCc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 5/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL7601682 0.77 KCNH2 (0.56) CA12CA1CA2CA4ALDH1A1
SCHEMBL13012410 0.76 LSS (0.44) POLBALDH1A1MAPTKDM4EMEN1
SCHEMBL19212050 0.75 POLB (0.48) POLBALDH1A1MAPTKDM4EMEN1
SCHEMBL19212052 0.75 POLB (0.48) POLBALDH1A1MAPTKDM4EMEN1
SCHEMBL4034943 0.74 POLB (0.57) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL8916041 0.73 POLB (0.40) POLBHTR2ACA12CA1CA2
SCHEMBL15054397 0.73 KDM4E (0.46) POLBALDH1A1MAPTKDM4ECYP1A2
SCHEMBL6665984 0.73 TSHR (0.53) POLBALDH1A1MAPTKMT2ACYP1A2
SCHEMBL19212051 0.73 ALDH1A1 (0.44) POLBCA12CA1CA2CA4
SCHEMBL2236124 0.73 CYP1A2 (0.41) POLBALDH1A1CYP1A2CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-03 — — US disclosed
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 — — US disclosed
WO-2008080891-A2 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-10 — — 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-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 POLB 3433/4885HTR2A 1756/4885CA12 685/4885
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 POLB 3328/4885HTR2A 1608/4885CA12 667/4885

“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.