SCHEMBL3712468

SCHEMBL3712468

O=[N+]([O-])Nc1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
SOS1 Q07889 1/20 0.44
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
RAPGEF4 Q8WZA2 1/20 0.39
HIF1A Q16665 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
CA1 P00915 1/20 0.38
MMP2 P08253 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL18956811 0.82 MAPT (0.51) ALDH1A1MAPTSOS1RAB9ANPC1
SCHEMBL2469875 0.76 ALDH1A1 (0.49) ALDH3A1ALDH1A1MAPTPOLBRAB9A
SCHEMBL7078201 0.71 MAPT (0.49) ALDH1A1MAPTNPC1KMT2AMEN1
SCHEMBL8595756 0.71 SOS1 (0.37) ALDH1A1MAPTSOS1RAPGEF4KMT2A
SCHEMBL28901819 0.71 ALDH1A1 (0.50) ALDH1A1MAPTPOLBRAB9ANPC1
SCHEMBL6201889 0.71 HSD17B10 (0.50) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL31732365 0.70 ALDH1A1 (0.38) ALDH1A1MAPTPOLBKMT2AMEN1
Nitric Acid SCHEMBL4467551 0.70 RAB9A (0.44) ALDH3A1ALDH1A1MAPTPOLBSOS1
SCHEMBL11355076 0.70 TSHR (0.54) ALDH1A1MAPTRAB9ANPC1KMT2A
Nitric Acid SCHEMBL4467542 0.70 RAB9A (0.44) ALDH3A1ALDH1A1MAPTPOLBSOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010094415-A1 FLUORINE CONTAINING REACTIVE DYES DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2010-08-26 WO disclosed
US-20060223003-A1 Optical recording medium and dye MITSUBISHI CHEMICAL CORPORATION (JP) 2006-10-05 US disclosed
EP-1698478-A1 OPTICAL RECORDING MEDIUM AND DYE Mitsubishi Chemical Corporation (JP) 2006-09-06 EP disclosed
WO-2004046118-A2 2-4-(DI-PHENYL-AMINO)-PYRIMIDINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-03 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 (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-20060223003-A1 Optical recording medium and dye CHRM1, CACNA1S, OXER1 ALDH3A1 1197/4885ALDH1A1 707/4885MAPT 1366/4885

“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.