SCHEMBL966948

SCHEMBL966948

CCC(=O)c1c(N2CCNCC2)nnc(C(=O)O)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.36
CYP2C9 P11712 1/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36
EDNRA P25101 1/20 0.36
TARBP2 Q15633 1/20 0.36
ITGA2B P08514 2/20 0.34
ITGB3 P05106 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
EPHX2 P34913 1/20 0.33
P2RY14 Q15391 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
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

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
SCHEMBL963333 0.91 LMNA (0.37) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL966950 0.81 ALDH1A1 (0.36) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL963334 0.72 ALDH1A1 (0.35) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL874422 0.65 HRH1 (0.41) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2339894 0.64 HRH1 (0.39) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL27202075 0.64 ALDH1A1 (0.47) ALDH1A1LMNACYP2C9HRH4EPHX2
SCHEMBL15414822 0.62 LMNA (0.35) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL23536762 0.60 HTR2C (0.44) ALDH1A1EPHX2KDM4E
SCHEMBL31736542 0.60 HTR2C (0.44) ALDH1A1EPHX2KDM4E
SCHEMBL25389951 0.60 FFAR4 (0.34) CYP2C9TSHR

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 2342/4885LMNA 176/4885CYP2C9 270/4885

“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.