SCHEMBL4584443

SCHEMBL4584443

O=C(O)c1ccc(Br)cc1NC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA3 P07451 2/20 0.50
CA6 P23280 2/20 0.50
CA7 P43166 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CISD1 Q9NZ45 1/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ACLY P53396 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HCAR3 P49019 2/20 0.45
MAPT P10636 2/20 0.45
PLA2G1B P04054 1/20 0.45

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
SCHEMBL27172111 0.92 ACLY (0.49) CA1CA2CA3CA6CA7
SCHEMBL4583665 0.84 YAP1 (0.55) KMT2AALDH1A1KDM4EHPGDHDAC8
SCHEMBL22097712 0.83 HCAR3 (0.59) CA1CA2CA3CA6CA7
SCHEMBL22097616 0.81 HCAR3 (0.61) CA1CA2CA3CA6CA7
SCHEMBL495805 0.80 TSHR (0.54) CA1CA2CA3CA6CA7
SCHEMBL4584618 0.80 ADRB3 (0.51) CA1CA2CA3CA6CA7
SCHEMBL31535175 0.79 YAP1 (0.50) ALDH1A1KDM4EHPGDOPRK1GAA
SCHEMBL27667998 0.79 CA12 (0.43) CA1CA2CA3CA6CA7
SCHEMBL496065 0.78 ALDH1A1 (0.51) CA1CA2CA3CA6CA7
SCHEMBL13277681 0.78 EZH2 (0.44) CA1CA2CA3CA6CA7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100582088-C Aminoalcohol derivatives ASTELLAS PHARMA INC 2010-01-20 CN disclosed
WO-2008141385-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2008-11-27 WO disclosed
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
CN-1906154-A Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2007-01-31 CN disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 US 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 CA1 2649/4885CA2 1133/4885CA3 2720/4885

“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.