SCHEMBL4047509

SCHEMBL4047509

O=C(O)c1cc(N=Nc2cccc([N+](=O)[O-])c2)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.77
TDP1 Q9NUW8 3/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
PDE4A P27815 1/20 0.64
BLVRB P30043 1/20 0.64
KDR P35968 1/20 0.64
HTT P42858 1/20 0.64
GLO1 Q04760 2/20 0.58
BLM P54132 2/20 0.57
APP P05067 1/20 0.57
THRB P10828 1/20 0.57
RECQL P46063 1/20 0.57
PHLPP2 Q6ZVD8 2/20 0.55
CYP2C9 P11712 1/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP2D6 P10635 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
SCHEMBL29481568 1.00 ALDH1A1 (0.77) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL4051923 1.00 ALDH1A1 (0.77) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2384120 0.99 ALDH1A1 (0.75) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2384124 0.99 ALDH1A1 (0.75) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2384129 0.99 ALDH1A1 (0.75) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL925266 0.88 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2384122 0.88 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL29359461 0.87 TDP1 (1.00) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL133646 0.87 TDP1 (1.00) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL133647 0.87 TDP1 (1.00) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384381-B2 Reaction accelerating agent KIKKOMAN CORPORATION (JP) 2022-07-12 US disclosed
US-11208675-B2 Reaction accelerating agent KIKKOMAN CORPORATION (JP) 2021-12-28 US disclosed
US-20190316174-A1 REACTION ACCELERATING AGENT KIKKOMAN CORPORATION (JP) 2019-10-17 US disclosed
US-20190300929-A1 REACTION ACCELERATING AGENT KIKKOMAN CORPORATION (JP) 2019-10-03 US disclosed
US-20130217765-A1 MULTIFUNCTIONAL NANOCONJUGATES AND USES THEREOF WISYS TECHNOLOGY FOUNDATION, INC. 2013-08-22 US disclosed
US-20130217765-A1 MULTIFUNCTIONAL NANOCONJUGATES AND USES THEREOF WISYS TECHNOLOGY FOUNDATION, INC. 2013-08-22 US disclosed
US-8435800-B2 Activated labeling reagents and methods for preparing and using the same BIOSIGHT LTD. (IL) 2013-05-07 US disclosed
US-20090203879-A1 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME BIOSIGHT LTD 2009-08-13 US disclosed
EP-1814908-A4 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME BIOSIGHT LTD (IL) 2009-07-01 EP disclosed
EP-1814908-A1 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME Biosight Ltd. (IL) 2007-08-08 EP disclosed
WO-2006054310-A1 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME BIOSIGHT LTD. (IL) 2006-05-26 WO disclosed
US-6596469-B2 Using a heat sensitive coating of a polymer where aqueous developer solubility of the composition is not increased by incident UV radiation but is increased by delivery of heat KODAK POLYCHROME GRAPHICS, LLC 2003-07-22 US disclosed
US-20020136961-A1 Using a heat sensitive coating of a polymer where aqueous developer solubility of the composition is not increased by incident UV radiation but is increased by delivery of heat CITICORP NORTH AMERICA, INC., AS AGENT 2002-09-26 US disclosed
EP-1003645-A1 METHOD OF MAKING MASKS AND ELECTRONIC PARTS Kodak Polychrome Graphics Company Ltd. (US) 2000-05-31 EP disclosed
WO-1999008879-A1 METHOD OF MAKING MASKS AND ELECTRONIC PARTS KODAK POLYCHROME GRAPHICS COMPANY LTD. (US) 1999-02-25 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 (3 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-20130217765-A1 MULTIFUNCTIONAL NANOCONJUGATES AND USES THEREOF CD47, CLTA, CD63 ALDH1A1 795/4885TDP1 4317/4885SMN1; SMN2 4490/4885
US-11384381-B2 Reaction accelerating agent MPO, AOX1, MAOA ALDH1A1 151/4885TDP1 1071/4885SMN1; SMN2 2225/4885
US-20190316174-A1 REACTION ACCELERATING AGENT MPO, AOX1, MAOA ALDH1A1 151/4885TDP1 1071/4885SMN1; SMN2 2225/4885

“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.