Sugi Predict

Sugi Predict / Compounds / SCHEMBL3101571

SCHEMBL3101571

SCHEMBL3101571

O=C(O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.78
▸ TDP1 Q9NUW8 5/20 0.78
▸ SMN1; SMN2 Q16637 1/20 0.78
▸ KMT2A Q03164 7/20 0.55
▸ MEN1 O00255 6/20 0.55
▸ MAPT P10636 5/20 0.55
▸ HTT P42858 3/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ PDE4A P27815 1/20 0.51
▸ BLVRB P30043 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ RECQL P46063 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51

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
SCHEMBL3101576 1.00 ALDH1A1 (0.78) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL133646 0.88 TDP1 (1.00) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL133647 0.88 TDP1 (1.00) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL29359461 0.88 TDP1 (1.00) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL7033980 0.87 TDP1 (0.97) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL7033973 0.87 TDP1 (0.97) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL7033984 0.87 TDP1 (0.97) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL3385330 0.83 MEN1 (0.70) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL1624756 0.83 MEN1 (0.70) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL26730466 0.83 MEN1 (0.70) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1

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-9791399-B2 Derivatization of carbon SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2017-10-17 — — US disclosed
US-9791399-B2 Derivatization of carbon SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2017-10-17 — — US disclosed
US-20140332412-A1 DERIVATIZATION OF CARBON SCHLUMBERGER TECHNOLOGY COPORATION (US) 2014-11-13 — — US disclosed
US-20140332412-A1 DERIVATIZATION OF CARBON SCHLUMBERGER TECHNOLOGY COPORATION (US) 2014-11-13 — — US disclosed
US-8476390-B2 Light filters comprising P-nitrophenylazo salicylic acid derivatives thereof ARES CAPITAL CORPORATION, AS COLLATERAL AGENT 2013-07-02 — — US disclosed
US-20100256306-A1 LIGHT FILTERS COMPRISING P-NITROPHENYLAZO SALICYLIC ACID DERIVATIVES THEREOF ARES CAPITAL CORPORATION, AS COLLATERAL AGENT 2010-10-07 — — 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-20140332412-A1 DERIVATIZATION OF CARBON FTH1, CBR1, SDHB ALDH1A1 162/4885TDP1 4720/4885SMN1; SMN2 4435/4885
US-20100256306-A1 LIGHT FILTERS COMPRISING P-NITROPHENYLAZO SALICYLIC ACID DERIVATIVES THEREOF UACA, SUN2, VHL ALDH1A1 356/4885TDP1 2883/4885SMN1; SMN2 4031/4885

“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.