SCHEMBL6890190

SCHEMBL6890190

Cc1cc(Cn2cc[n+](C)c2)cc(Cn2cc[n+](C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PON1 P27169 2/20 0.47
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
PLA2G1B P04054 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
LMNA P02545 1/20 0.36
FDPS P14324 2/20 0.34

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
SCHEMBL18259778 0.96 CYP11B1 (0.47) PON1CYP11B1CYP11B2SMN1; SMN2MEN1
Water SCHEMBL18260008 0.95 CYP11B1 (0.46) PON1CYP11B1CYP11B2SMN1; SMN2MEN1
SCHEMBL20138573 0.83 CYP11B1 (0.53) PON1CYP11B1CYP11B2MEN1MAPT
Hydrochloric Acid SCHEMBL2012582 0.82 CYP11B1 (0.55) PON1CYP11B1CYP11B2MEN1MAPT
Water SCHEMBL18260003 0.82 CYP11B1 (0.51) PON1CYP11B1CYP11B2MEN1MAPT
SCHEMBL16638701 0.81 CYP19A1 (0.47) PON1CYP11B1CYP11B2SMN1; SMN2MEN1
SCHEMBL16674128 0.80 PON1 (0.46) PON1CYP11B1CYP11B2SMN1; SMN2MEN1
SCHEMBL667065 0.76 PON1 (0.50) PON1CYP11B1CYP11B2SMN1; SMN2MEN1
SCHEMBL12220255 0.76 PON1 (0.43) PON1CYP11B1CYP11B2SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL383000 0.74 PON1 (0.52) PON1CYP11B1CYP11B2SMN1; SMN2MEN1

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-6815562-B2 REACTION OF NITROHALOGENS WITH ANILINES, A BASE AND A CATALYST, HYDROGENATION, BAYER AKTIENGESELLSCHAFT (DE) 2004-11-09 US disclosed
US-20040143138-A1 Process for the preparation of nitrodiphenylamines LANXESS DEUTSCHLAND GMBH (DE) 2004-07-22 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-20040143138-A1 Process for the preparation of nitrodiphenylamines HNMT, PNMT, NNMT PON1 3313/4885CYP11B1 146/4885CYP11B2 116/4885

“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.