SCHEMBL963335

SCHEMBL963335

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.34
ATP6V1B2 P21281 1/20 0.34
TBXA2R P21731 1/20 0.34
EDNRA P25101 1/20 0.34
TARBP2 Q15633 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
BRD4 O60885 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CYP2J2 P51589 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRL1 P41146 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CTSL P07711 3/20 0.31
CTSK P43235 3/20 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
SCHEMBL966951 0.86 HRH4 (0.32) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL966952 0.78 HRH4 (0.33) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL963337 0.76 HRH4 (0.32) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL27207006 0.72 SCD (0.40) CYP2C9ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL27207432 0.70 ADRB1 (0.39) CYP2C9ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL966950 0.65 ALDH1A1 (0.36) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL963334 0.64 ALDH1A1 (0.35) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL27207381 0.63 SCD (0.43) LMNAIRAK4
SCHEMBL6304381 0.62 BAZ2A (0.39) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL27202056 0.62 ACVR1 (0.41) IRAK4

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 LMNA 176/4885CYP2C9 270/4885ATP6V1B2 3131/4885

“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.