SCHEMBL6996538

SCHEMBL6996538

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
AKR1C3 P42330 4/20 0.50
AKR1C2 P52895 4/20 0.50
LMNA P02545 3/20 0.50
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPK1 P28482 2/20 0.47
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL6992000 0.89 KMT2A (0.44) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL6998339 0.89 AKR1C3 (0.45) MAPTAKR1C3AKR1C2LMNARAB9A
SCHEMBL6994728 0.88 KMT2A (0.43) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL6999539 0.88 MAPT (0.47) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL6993538 0.88 KMT2A (0.43) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL6990179 0.87 MAPT (0.46) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL6998467 0.85 MAPK1 (0.47) MAPTAKR1C3AKR1C2LMNARAB9A
SCHEMBL6991878 0.85 KMT2A (0.41) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL6995614 0.85 MAPT (0.42) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL6993923 0.84 MAPT (0.49) MAPTLMNARAB9ANPC1SMN1; 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 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 MAPT 15/4885AKR1C3 2317/4885AKR1C2 2424/4885

“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.