SCHEMBL6998467

SCHEMBL6998467

CCOC(=O)c1c(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
AKR1B1 P15121 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
LMNA P02545 4/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 7/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNMA1 Q12791 1/20 0.43
KMT2A Q03164 4/20 0.43
PKM P14618 3/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL6994728 0.88 KMT2A (0.43) MAPK1LMNATP53MAPTALDH1A1
SCHEMBL6992000 0.88 KMT2A (0.44) MAPK1LMNAMAPTALDH1A1CYP1A2
SCHEMBL6993538 0.86 KMT2A (0.43) MAPK1LMNAMAPTALDH1A1KMT2A
SCHEMBL6999539 0.86 MAPT (0.47) MAPK1LMNAMAPTALDH1A1KCNMA1
SCHEMBL6990179 0.85 MAPT (0.46) MAPK1LMNATP53MAPTALDH1A1
SCHEMBL6996538 0.85 MAPT (0.50) MAPK1AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL6992508 0.85 LMNA (0.47) MAPK1LMNATP53MAPTALDH1A1
SCHEMBL6991878 0.85 KMT2A (0.41) LMNAMAPTALDH1A1KMT2APKM
SCHEMBL6995614 0.83 MAPT (0.42) LMNATP53MAPTALDH1A1CYP1A2
SCHEMBL6993953 0.82 MAPT (0.41) MAPK1LMNAMAPTALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1016664-B1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2003-07-02 EP disclosed
US-6455521-B1 PSYCHOLOGICAL DISORDERS; SIDE EFFECT REDUCTION MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
US-20020042411-A1 Condensed thiophene compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2002-04-11 US disclosed
US-6271225-B1 PSYCHOLOGICAL DISORDERS WELFIDE CORPORATION (JP) 2001-08-07 US disclosed
EP-1016664-A1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-07-05 EP 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-20020042411-A1 Condensed thiophene compounds and pharmaceutical use thereof ACIN1, ACHE, TPMT MAPK1 1616/4885AKR1B1 2062/4885AKR1C4 1776/4885

“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.