SCHEMBL129206

SCHEMBL129206

Cc1ccc(C(C)(C)C(=O)O)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DGAT1 O75907 1/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 1/20 0.36
CCR9 P51686 1/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
PLAU P00749 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL31292454 1.00 RAB9A (0.43) RAB9AMAPTCCR1CCR5CCR8
SCHEMBL129205 0.79 DGAT1 (0.41) DGAT1CYP2C19SLC22A12
SCHEMBL1759981 0.79 DGAT1 (0.41) HDAC6DGAT1KDM4ECYP2C19SLC22A12
SCHEMBL3759061 0.79 ALDH1A1 (0.48) RAB9ADGAT1ALDH1A1KDM4EADRA2A
SCHEMBL17420645 0.79 RAB9A (0.42) RAB9AMAPTCCR1CCR5CCR8
SCHEMBL30628280 0.79 RAB9A (0.42) RAB9AMAPTCCR1CCR5CCR8
SCHEMBL146646 0.77 CCR1 (0.52) RAB9AMAPTCCR1CCR5CCR8
SCHEMBL3180860 0.77 KMT2A (0.49) RAB9AMAPTHDAC6DGAT1ALDH1A1
Acetic Acid SCHEMBL28069619 0.76 TRPV4 (0.47) RAB9AMAPTCCR1CCR5CCR8
SCHEMBL133859 0.75 CCR1 (0.46) RAB9AMAPTCCR1CCR5CCR8

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-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
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN 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 RAB9A 2999/4885MAPT 4877/4885CCR1 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.