SCHEMBL5576987

SCHEMBL5576987

O=C(CCCCCl)c1cc2c(c([N+](=O)[O-])c1)OCC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP1 P09874 1/20 0.32
PRSS1 P07477 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 2/20 0.31
VCAM1 P19320 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MET P08581 1/20 0.31
HDAC1 Q13547 1/20 0.31
FABP4 P15090 1/20 0.31
ACHE P22303 1/20 0.30
CTNNB1 P35222 2/20 0.30
WNT3A P56704 2/20 0.30

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
SCHEMBL5312945 0.80 PTGS2 (0.48) PTGS1PTGS2PARP1CTNNB1WNT3A
SCHEMBL4859405 0.77 PTGS2 (0.48) PTGS1PTGS2PARP1CTNNB1WNT3A
SCHEMBL4861134 0.76 PTGS2 (0.47) PTGS1PTGS2PARP1CTNNB1WNT3A
SCHEMBL5311603 0.75 PTGS2 (0.47) PTGS1PTGS2MEN1KMT2APARP1
SCHEMBL4860602 0.74 PTGS2 (0.47) PTGS1PTGS2THRATHRB
SCHEMBL5307876 0.74 PTGS2 (0.45) PTGS1PTGS2KDM4ESMN1; SMN2HDAC1
SCHEMBL4857154 0.74 PTGS2 (0.47) PTGS1PTGS2MAPTKMT2AALDH1A1
SCHEMBL31417803 0.74 VCAM1 (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL31417655 0.74 VCAM1 (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4096904 0.73 MAPK1 (0.37) MAPTMEN1KMT2APARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 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-20070099986-A1 Preventives/remedies for urinary disturbance REN, GLS, ATP6V1B1 PTGS1 344/4885PTGS2 638/4885THRA 2868/4885

“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.