SCHEMBL963337

SCHEMBL963337

O=C(CCCC(F)(F)F)c1cnnc(C(=O)O)c1N1CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.32
KDM4E B2RXH2 2/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
LMNA P02545 2/20 0.31
CYP2C9 P11712 1/20 0.31
ATP6V1B2 P21281 1/20 0.31
TBXA2R P21731 1/20 0.31
EDNRA P25101 1/20 0.31
TARBP2 Q15633 1/20 0.31
HPGDS O60760 1/20 0.31
ADRB2 P07550 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
BRD4 O60885 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
CYP2J2 P51589 1/20 0.30
NPSR1 Q6W5P4 1/20 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
SCHEMBL966952 0.93 HRH4 (0.33) HRH4KDM4ETOP2ATOP2BLMNA
SCHEMBL966951 0.76 HRH4 (0.32) HRH4KDM4ELMNACYP2C9ATP6V1B2
SCHEMBL963335 0.76 LMNA (0.34) HRH4KDM4ELMNACYP2C9ATP6V1B2
SCHEMBL27207006 0.74 SCD (0.40) KDM4ECYP2C9ALDH1A1TSHRHSD17B10
SCHEMBL27207432 0.70 ADRB1 (0.39) KDM4ECYP2C9ALDH1A1TSHRHSD17B10
SCHEMBL963334 0.65 ALDH1A1 (0.35) HRH4KDM4ELMNACYP2C9ATP6V1B2
SCHEMBL966950 0.64 ALDH1A1 (0.36) HRH4KDM4ELMNACYP2C9ATP6V1B2
SCHEMBL5276190 0.63 NCF1 (0.41) ADRB2ALDH1A1TSHRHSD17B10
SCHEMBL27202075 0.61 ALDH1A1 (0.47) HRH4KDM4ELMNACYP2C9ADRB2
Trifluoroacetic Acid SCHEMBL5633804 0.60 HRH4 (0.47) HRH4KDM4EADRB2HRH3ALDH1A1

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 HRH4 228/4885KDM4E 520/4885TOP2A 385/4885

“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.