SCHEMBL7100069

SCHEMBL7100069

CC/C=C(/C(=O)OCCCC)c1csc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 4/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL7100070 1.00 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL7105159 0.96 MAPT (0.48) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL27453805 0.96 MAPT (0.48) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL7105162 0.96 MAPT (0.48) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL27468965 0.92 MAPT (0.51) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL7105772 0.92 MAPT (0.51) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL7105770 0.92 MAPT (0.51) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL7107177 0.91 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL7107175 0.91 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL7664316 0.91 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9AMAPT

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-1000939-B1 Producing z-isomer of hydrogen bromide salt of 2-aminothiazole derivative SUMITOMO CHEMICAL CO (JP) 2003-09-17 EP disclosed
US-6403572-B1 REACTING ACID SALT OF A 2-AMINOTHIAZOLE COMPOUND WITH INORGANIC ACID SUMITOMO CHEMICAL CO., LTD. (JP) 2002-06-11 US disclosed
US-20020058818-A1 Producing Z-isomer of hydrogen bromide salt of 2-aminothiazole derivative SUMITOMO CHEMICAL CO., LTD. 2002-05-16 US disclosed
US-6340763-B1 SALT FORMATION AND CRYSTALLIZATION, REACTION OF HALOGENATED COMPOUND AND THIOUREA COMPOUND SUMITOMO CHEMICAL CO., LTD. (JP) 2002-01-22 US disclosed
EP-1000939-A1 Producing z-isomer of hydrogen bromide salt of 2-aminothiazole derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-17 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-20020058818-A1 Producing Z-isomer of hydrogen bromide salt of 2-aminothiazole derivative ZYX, H1-0, HAO2 ALDH1A1 2333/4885MEN1 2308/4885KMT2A 848/4885

“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.