SCHEMBL4155798

SCHEMBL4155798

O=[N+]([O-])c1cccc2nc3ccccc3c(Cl)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
MAPT P10636 4/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 2/20 0.52
MAOA P21397 2/20 0.52
MAOB P27338 1/20 0.52
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CHRM3 P20309 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
ADORA2A P29274 1/20 0.51
ADRA1A P35348 1/20 0.51
HRH1 P35367 1/20 0.51
DRD3 P35462 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
SCHEMBL2918933 0.81 KMT2A (0.52) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL13313370 0.81 MEN1 (0.54) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL2920152 0.80 PIM1 (0.48) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL3364537 0.78 CHRM2 (0.57) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL9422686 0.78 ALDH1A1 (0.51) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL2920813 0.77 KMT2A (0.57) KMT2AMEN1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11551062 0.76 KMT2A (0.47) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL2918502 0.76 NQO2 (0.45) KMT2AMEN1MAPTSMN1; SMN2MAOA
SCHEMBL3107938 0.75 ALDH1A1 (0.49) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL7877715 0.75 CHRM2 (0.80) KMT2AMEN1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9127164-B2 Fluorescent dyes and uses thereof ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2015-09-08 US disclosed
EP-1940965-B1 NOVEL FLUORESCENT DYES AND USES THEREOF ALMAC SCIENCES SCOTLAND LTD (GB) 2014-03-26 EP disclosed
US-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2009-09-10 US disclosed
EP-1940965-A2 NOVEL FLUORESCENT DYES AND USES THEREOF ITI Scotland Limited (GB) 2008-07-09 EP disclosed
WO-2007049057-A2 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2007-05-03 WO disclosed
EP-0111205-B1 ACRIDANONE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-04-01 EP disclosed
US-4544659-A PARASITICIDES HOFFMAN-LA ROCHE INC. (US) 1985-10-01 US disclosed
US-4462993-A REACTION WITH A SUGAR IN PRESENCE OF ACID CATALYST BIOGAL GYOGYSZERGYAR (HU) 1984-07-31 US disclosed
EP-0111205-A1 Acridanone derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-06-20 EP disclosed
US-4150231-A ANTITUMOR AGENTS POLITECHNIKA GDANSKA (PL) 1979-04-17 US disclosed
US-4139531-A ANTINEOPLASTIC POLITECHNIKA GDANSKA (PL) 1979-02-13 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-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ACR, ANXA5, GLB1 KMT2A 4502/4885MEN1 3393/4885MAPT 2114/4885

“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.