SCHEMBL6990179

SCHEMBL6990179

CCOC(=O)c1c(Nc2ccccc2[N+](=O)[O-])sc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 9/20 0.43
MEN1 O00255 6/20 0.43
LMNA P02545 4/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PABPC1 P11940 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 3/20 0.42
MAPK1 P28482 3/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP3 P42574 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL7000921 0.90 MAPT (0.47) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6992000 0.90 KMT2A (0.44) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL6990197 0.90 ALDH1A1 (0.43) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6994728 0.88 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6993538 0.88 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6999539 0.88 MAPT (0.47) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6987733 0.88 L3MBTL1 (0.46) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6993953 0.88 MAPT (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6995589 0.88 MAPT (0.40) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6998339 0.87 AKR1C3 (0.45) MAPTALDH1A1KMT2AMEN1LMNA

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 15/4885ALDH1A1 366/4885KMT2A 2923/4885

“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.