SCHEMBL131737

SCHEMBL131737

Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 4/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
TRPV4 Q9HBA0 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
RORC P51449 1/20 0.36
PLAU P00749 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 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
SCHEMBL25894850 0.79 CCR1 (0.44) MLYCDCCR1CCR5CCR8HDAC6
SCHEMBL19984394 0.79 CCR1 (0.44) MLYCDCCR1CCR5CCR8HDAC6
SCHEMBL29497498 0.79 TRPV4 (0.58) CCR1CCR5CCR8HDAC6MAPT
SCHEMBL130934 0.79 TRPV4 (0.58) CCR1CCR5CCR8HDAC6MAPT
Ammonia Solution, Strong SCHEMBL28458759 0.77 TRPV4 (0.56) CCR1CCR5CCR8HDAC6MAPT
SCHEMBL133859 0.77 CCR1 (0.46) SMN1; SMN2CCR1CCR5CCR8HDAC6
SCHEMBL16132535 0.77 CCR1 (0.46) CCR1CCR5CCR8HDAC6MAPT
SCHEMBL21300025 0.77 CCR1 (0.46) CCR1CCR5CCR8HDAC6MAPT
SCHEMBL1961114 0.77 CCR1 (0.46) CCR1CCR5CCR8HDAC6MAPT
SCHEMBL30567618 0.77 CCR1 (0.46) CCR1CCR5CCR8HDAC6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 MLYCD 481/4885SMN1; SMN2 4613/4885CCR1 423/4885

“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.