SCHEMBL6994728

SCHEMBL6994728

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MAPT P10636 11/20 0.42
ALDH1A1 P00352 8/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
KCNMA1 Q12791 1/20 0.41
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
PTGER4 P35408 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 2/20 0.40
ALPL P05186 1/20 0.40
MAPK1 P28482 2/20 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
SCHEMBL6993953 0.92 MAPT (0.41) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL6992000 0.90 KMT2A (0.44) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL6991878 0.89 KMT2A (0.41) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL6999539 0.89 MAPT (0.47) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL6993538 0.89 KMT2A (0.43) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL6990179 0.88 MAPT (0.46) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL6998467 0.88 MAPK1 (0.47) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL6996538 0.88 MAPT (0.50) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL6995614 0.85 MAPT (0.42) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL7000921 0.84 MAPT (0.47) KMT2AMAPTALDH1A1RAB9ANPC1

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 KMT2A 2923/4885MAPT 15/4885ALDH1A1 366/4885

“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.