SCHEMBL966950

SCHEMBL966950

CCC(=O)c1c(C(F)(F)F)nnc(C(=O)O)c1N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
CYP2C9 P11712 1/20 0.32
ATP6V1B2 P21281 1/20 0.32
TBXA2R P21731 1/20 0.32
EDNRA P25101 1/20 0.32
TARBP2 Q15633 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
KDM4E B2RXH2 1/20 0.31
BRD4 O60885 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
CYP2J2 P51589 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL963334 0.91 ALDH1A1 (0.35) ALDH1A1HRH4HRH3LMNACYP2C9
SCHEMBL966948 0.81 ALDH1A1 (0.38) ALDH1A1HRH4HRH3LMNAITGB3
SCHEMBL27202075 0.80 ALDH1A1 (0.47) ALDH1A1HRH4LMNACYP2C9KDM4E
SCHEMBL963333 0.72 LMNA (0.37) ALDH1A1HRH4HRH3LMNAITGB3
SCHEMBL27202078 0.72 ALDH1A1 (0.39) ALDH1A1HRH4HRH3IRAK4KDM4E
SCHEMBL27202080 0.71 ALDH1A1 (0.43) ALDH1A1HRH4HRH3CYP2C9IRAK4
SCHEMBL27202096 0.69 ALDH1A1 (0.40) ALDH1A1HRH4HRH3IRAK4TSHR
SCHEMBL966952 0.66 HRH4 (0.33) ALDH1A1HRH4HRH3LMNACYP2C9
SCHEMBL27202089 0.66 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL6304381 0.66 BAZ2A (0.39) ALDH1A1HRH4LMNAITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964591-B2 Pyridazine derivatives and their use as therapeutic agents NOVARTIS PHARMA AG (CH) 2011-06-21 US disclosed
US-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS XENON PHARMACEUTICALS INC. (CA) 2011-01-27 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-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS PRXL2A, CUTA, MC1R ALDH1A1 2342/4885HRH4 228/4885HRH3 116/4885

“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.