SCHEMBL6990197

SCHEMBL6990197

CCOC(=O)c1c(Nc2ccccc2[N+](=O)[O-])sc2cc(C)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
MAPT P10636 8/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
LMNA P02545 6/20 0.41
HPGD P15428 2/20 0.41
PABPC1 P11940 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
POLB P06746 3/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL6990179 0.90 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6998339 0.89 AKR1C3 (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7000921 0.88 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6992000 0.88 KMT2A (0.44) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7000448 0.87 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6992504 0.83 SMN1; SMN2 (0.55) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6995638 0.82 KMT2A (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6994728 0.80 KMT2A (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6995589 0.80 MAPT (0.40) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6999539 0.80 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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 ALDH1A1 366/4885MAPT 15/4885SMN1; SMN2 1349/4885

“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.