SCHEMBL19971998

SCHEMBL19971998

O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc3ccccc3o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.60
MMP9 P14780 2/20 0.60
MMP8 P22894 2/20 0.60
MMP13 P45452 2/20 0.60
RAB9A P51151 10/20 0.51
NPC1 O15118 8/20 0.51
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 5/20 0.47
CASP3 P42574 2/20 0.47
EIF4A1 P60842 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
RECQL P46063 1/20 0.46
HKDC1 Q2TB90 1/20 0.46

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
SCHEMBL19972001 0.91 MMP2 (0.54) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL3050578 0.80 MMP2 (0.64) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL5834905 0.79 MMP2 (0.63) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL2690401 0.79 MMP2 (0.63) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL2246173 0.79 KDM6B (0.64) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL19972027 0.77 NPC1 (0.55) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL21776945 0.77 MMP2 (0.63) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL18107119 0.76 MMP2 (0.46) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL2246922 0.76 MMP2 (1.00) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL7174591 0.75 ELANE (0.59) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 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 (1 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-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 MMP2 4229/4885MMP9 4725/4885MMP8 3635/4885

“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.