SCHEMBL7660313

SCHEMBL7660313

Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(Br)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 4/20 0.60
KMT2A Q03164 6/20 0.57
MAPT P10636 3/20 0.57
MEN1 O00255 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
CXCR1 P25024 2/20 0.55
CXCR2 P25025 2/20 0.55
HDAC6 Q9UBN7 1/20 0.55
GAA P10253 2/20 0.52
POLB P06746 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
RORC P51449 1/20 0.48
AURKA O14965 1/20 0.47
PDPK1 O15530 1/20 0.47
JAK2 O60674 1/20 0.47
GMNN O75496 1/20 0.47
ALDH1A1 P00352 1/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL7658670 0.91 KCNMA1 (0.60) KCNMA1KMT2AMAPTMEN1TDP1
SCHEMBL6995125 0.82 RAB9A (0.53) KCNMA1KMT2AMAPTMEN1TDP1
SCHEMBL7654114 0.80 CXCR2 (0.51) KCNMA1KMT2AMAPTCXCR2POLB
SCHEMBL7661723 0.80 HDAC1 (0.43) KCNMA1KMT2AMAPTMEN1GAA
SCHEMBL24380012 0.79 KCNMA1 (0.81) KCNMA1KMT2AMAPTMEN1TDP1
SCHEMBL6997403 0.78 NPC1 (0.55) KCNMA1KMT2AMAPTMEN1GAA
SCHEMBL7665120 0.78 MAPT (0.50) KMT2AMAPTMEN1GAAPOLB
SCHEMBL6260473 0.78 NPC1 (0.70) KCNMA1KMT2AMAPTMEN1TDP1
SCHEMBL4926714 0.76 KCNMA1 (0.80) KCNMA1KMT2AMAPTMEN1TDP1
SCHEMBL5595104 0.76 CXCR1 (0.80) KCNMA1KMT2AMAPTMEN1TDP1

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
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
CN-1268949-A Fused thiophene compounds and medical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2000-10-04 CN 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 KCNMA1 2043/4885KMT2A 2923/4885MAPT 15/4885

“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.